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Comparing trunk/electrostaticMethodsPaper/electrostaticMethods.bib (file contents):
Revision 2575 by chrisfen, Sat Jan 28 22:42:46 2006 UTC vs.
Revision 2630 by chrisfen, Thu Mar 16 15:03:20 2006 UTC

#	Line 1 | Line 1
1	<	@string{jcp = "J. Chem. Phys."}
2	<	@string{cpl = "Chem. Phys. Lett."}
3	<	@string{jpc = "J. Phys. Chem."}
4	<	@string{jpcA = "J. Phys. Chem. A"}
5	<	@string{jpcB = "J. Phys. Chem. B"}
6	<	@string{cp  = "Chem. Phys."}
7	<	@string{acp = "Adv. Chem. Phys."}
8	<	@string{pra = "Phys. Rev. A"}
9	<	@string{prb = "Phys. Rev. B"}
10	<	@string{pre = "Phys. Rev. E"}
11	<	@string{prl = "Phys. Rev. Lett."}
12	<	@string{rmp = "Rev. Mod. Phys."}
13	<	@string{jml = "J. Mol. Liq."}
14	<	@string{mp = "Mol. Phys."}
15	<	@string{pnas = "Proc. Natl. Acad. Sci. USA"}
16	<	@string{jacs = "J. Am. Chem. Soc."}
17	<	@string{jcc = "J. Comput. Chem."}
18	<	@string{pccp = "Phys. Chem. Chem. Phys."}
1	>	%% This BibTeX bibliography file was created using BibDesk.
2	>	%% http://bibdesk.sourceforge.net/
3
20	–	@Book{Berne90,
21	–	author =       {B.~J. Berne and R. Pecora},
22	–	title =        {Dynamic Light Scattering},
23	–	publisher =    {Robert E. Krieger Publishing Company, Inc.},
24	–	year =         1990,
25	–	address =      {Malabar, Florida}
26	–	}
4
5	<	@Article{Evans77,
29	<	author =       {D.~J. Evans},
30	<	title =        {On the representation of orientation space},
31	<	journal =      {Mol. Phys.},
32	<	year =         1977,
33	<	volume =       34,
34	<	pages =        {317-325}
35	<	}
5	>	%% Created for Chris Fennell at 2006-03-16 10:02:01 -0500
6
37	–	@Article{Tuckerman92,
38	–	author =       {M. Tuckerman and B.~J. Berne and G.~J. Martyna},
39	–	title =        {Reversible multiple time scale molecular dynamics},
40	–	journal =      jcp,
41	–	year =         1992,
42	–	volume =       97,
43	–	pages =        {1990-2001}
44	–	}
7
8	<	@Book{Hansen86,
47	<	author =       {J.~P. Hansen and I.~R. McDonald},
48	<	title =        {Theory of Simple Liquids},
49	<	chapter =      7,
50	<	publisher =    {Academic Press},
51	<	year =         1986,
52	<	address =      {London},
53	<	pages =        {199-206}
54	<	}
8	>	%% Saved with string encoding Western (ASCII)
9
56	–	@Article{Angelani98,
57	–	author =       {L. Angelani and G. Parisi and G. Ruocco and G. Viliani},
58	–	title =        {Connected Network of Minima as a Model Glass: Long
59	–	Time Dynamics},
60	–	journal =      prl,
61	–	year =         1998,
62	–	volume =       81,
63	–	number =       21,
64	–	pages =        {4648-4651}
65	–	}
10
11	<	@Article{Stillinger82,
68	<	author =       {F.~H. Stillinger and T.~A. Weber},
69	<	title =        {Hidden structure in liquids},
70	<	journal =      pra,
71	<	year =         1982,
72	<	volume =       25,
73	<	number =       2,
74	<	pages =        {978-989}
75	<	}
11	>	@STRING{acp = "Adv. Chem. Phys."}
12
13	<	@Article{Stillinger83,
78	<	author =       {F.~H. Stillinger and T.~A. Weber},
79	<	title =        {Dynamics of structural transitions in liquids},
80	<	journal =      pra,
81	<	year =         1983,
82	<	volume =       28,
83	<	number =       4,
84	<	pages =        {2408-2416}
85	<	}
13	>	@STRING{cp = "Chem. Phys."}
14
15	<	@Article{Weber84,
88	<	author =       {T.~A. Weber and F.~H. Stillinger},
89	<	title =        {The effect of density on the inherent structure in
90	<	liquids},
91	<	journal =      jcp,
92	<	year =         1984,
93	<	volume =       80,
94	<	number =       6,
95	<	pages =        {2742-2746}
96	<	}
15	>	@STRING{cpl = "Chem. Phys. Lett."}
16
17	<	@Article{Stillinger85,
99	<	author =       {F.~H. Stillinger and T.~A. Weber},
100	<	title =        {Inherent structure theory of liquids in the
101	<	hard-sphere limit},
102	<	journal =      jcp,
103	<	year =         1985,
104	<	volume =       83,
105	<	number =       9,
106	<	pages =        {4767-4775}
107	<	}
17	>	@STRING{jacs = "J. Am. Chem. Soc."}
18
19	<	@Article{Stillinger98,
110	<	author =       {S. Sastry and P.~G. Debenedetti and F.~H. Stillinger},
111	<	title =        {Signatures of distinct dynamical regimes in the
112	<	energy landscape of a glass-forming liquid},
113	<	journal =      {Nature},
114	<	year =         1998,
115	<	volume =       393,
116	<	pages =        {554-557}
117	<	}
19	>	@STRING{jcc = "J. Comput. Chem."}
20
21	+	@STRING{jcp = "J. Chem. Phys."}
22
23	<	@Article{Parkhurst75a,
121	<	author =       {H.~J. {Parkhurst, Jr.} and J. Jonas},
122	<	title =        {Dense liquids. I. The effect of density and
123	<	temperature on viscosity of tetramethylsilane and
124	<	benzene-$\mbox{D}_6$},
125	<	journal =      jcp,
126	<	year =         1975,
127	<	volume =       63,
128	<	number =       6,
129	<	pages =        {2698-2704}
130	<	}
23	>	@STRING{jml = "J. Mol. Liq."}
24
25	<	@Article{Parkhurst75b,
133	<	author =       {H.~J. {Parkhurst, Jr.} and J. Jonas},
134	<	title =        {Dense liquids. II. The effect of density and
135	<	temperature on viscosity of tetramethylsilane and
136	<	benzene },
137	<	journal =      jcp,
138	<	year =         1975,
139	<	volume =       63,
140	<	number =       6,
141	<	pages =        {2705-2709}
142	<	}
25	>	@STRING{jpc = "J. Phys. Chem."}
26
27	<	@Article{Forester97,
145	<	author =       {T.~R. Forester and W. Smith and J.~H.~R. Clarke},
146	<	title =        {Antibiotic activity of valinomycin - Molecular
147	<	dynamics simulations involving the water/membrane
148	<	interface},
149	<	journal =      {J. Chem. Soc. - Faraday Transactions},
150	<	year =         1997,
151	<	volume =       93,
152	<	pages =        {613-619}
153	<	}
27	>	@STRING{jpca = "J. Phys. Chem. A"}
28
29	<	@Article{Tieleman98,
156	<	author =       {D.~P. Tieleman and H.~J.~C. Berendsen},
157	<	title =        {A molecular dynamics study of the pores formed by
158	<	Escherichia coli OmpF porin in a fully hydrated
159	<	palmitoyloleoylphosphatidylcholine bilayer},
160	<	journal =      {Biophys. J.},
161	<	year =         1998,
162	<	volume =       74,
163	<	pages =        {2786-2801}
164	<	}
29	>	@STRING{jpcb = "J. Phys. Chem. B"}
30
31	<	@Article{Cascales98,
167	<	author =       {J.~J.~L. Cascales and J.~G.~H. Cifre and J.~G. de~la~Torre},
168	<	title =        {Anaesthetic mechanism on a model biological
169	<	membrane: A molecular dynamics simulation study},
170	<	journal =      {J. Phys. Chem. B},
171	<	year =         1998,
172	<	volume =       102,
173	<	pages =        {625-631}
174	<	}
31	>	@STRING{mp = "Mol. Phys."}
32
33	<	@Article{Bassolino95,
177	<	author =       {D. Bassolino and H.~E. Alper and T.~R. Stouch},
178	<	title =        {MECHANISM OF SOLUTE DIFFUSION THROUGH LIPID
179	<	BILAYER-MEMBRANES BY MOLECULAR-DYNAMICS SIMULATION},
180	<	journal =      {J. Am. Chem. Soc.},
181	<	year =         1995,
182	<	volume =       117,
183	<	pages =        {4118-4129}
184	<	}
33	>	@STRING{pccp = "Phys. Chem. Chem. Phys."}
34
35	<	@Article{Alper95,
187	<	author =       {H.~E. Alper and T.~R. Stouch},
188	<	title =        {ORIENTATION AND DIFFUSION OF A DRUG ANALOG IN
189	<	BIOMEMBRANES - MOLECULAR-DYNAMICS SIMULATIONS},
190	<	journal =      {J. Phys. Chem.},
191	<	year =         1995,
192	<	volume =       99,
193	<	pages =        {5724-5731}
194	<	}
35	>	@STRING{pnas = "Proc. Natl. Acad. Sci. USA"}
36
37	<	@Article{Sok92,
197	<	author =       {R.~M. Sok and H.~J.~C. Berendsen and W.~F. van~Gunsteren},
198	<	title =        {MOLECULAR-DYNAMICS SIMULATION OF THE TRANSPORT OF
199	<	SMALL MOLECULES ACROSS A POLYMER MEMBRANE},
200	<	journal =      {J. Chem. Phys.},
201	<	year =         1992,
202	<	volume =       96,
203	<	pages =        {4699-4704}
204	<	}
37	>	@STRING{pra = "Phys. Rev. A"}
38
39	<	@Article{Rabani99,
207	<	author =       {E. Rabani and J.~D. Gezelter and B.~J. Berne},
208	<	title =        {Direct Observation of Stretched-Exponential
209	<	Relaxation in Low-Temperature Lennard-Jones Systems
210	<	Using the Cage Correlation Function},
211	<	journal =      prl,
212	<	year =         {1999},
213	<	volume =       82,
214	<	pages =        {3649}
215	<	}
39	>	@STRING{prb = "Phys. Rev. B"}
40
41	<	@Article{Rabani97,
218	<	author =       {E. Rabani and J.~D. Gezelter and B.~J. Berne},
219	<	title =        {Calculating the hopping rate for self-diffusion on
220	<	rough potential energy surfaces: Cage correlations},
221	<	journal =      {J. Chem. Phys.},
222	<	year =         1997,
223	<	volume =       107,
224	<	pages =        {6867-6876}
225	<	}
41	>	@STRING{pre = "Phys. Rev. E"}
42
43	<	@Article{Gezelter99,
228	<	author =       {J.~D. Gezelter and E. Rabani and B.~J. Berne},
229	<	title =        {Methods for calculating the hopping rate for
230	<	orientational and spatial diffusion in a molecular
231	<	liquid: $\mbox{CS}_{2}$},
232	<	journal =      jcp,
233	<	year =         1999,
234	<	volume =       110,
235	<	pages =        3444
236	<	}
43	>	@STRING{prl = "Phys. Rev. Lett."}
44
45	<	@Article{Gezelter98a,
239	<	author =       {J.~D. Gezelter and E. Rabani and B.~J. Berne},
240	<	title =        {Response to 'Comment on a Critique of the
241	<	Instantaneous Normal Mode (INM) Approach to
242	<	Diffusion'},
243	<	journal =      jcp,
244	<	year =         1998,
245	<	volume =       109,
246	<	pages =        4695
247	<	}
45	>	@STRING{rmp = "Rev. Mod. Phys."}
46
249	–	@Article{Gezelter97,
250	–	author =       {J.~D. Gezelter and E. Rabani and B.~J. Berne},
251	–	title =        {Can imaginary instantaneous normal mode frequencies
252	–	predict barriers to self-diffusion?},
253	–	journal =      jcp,
254	–	year =         1997,
255	–	volume =       107,
256	–	pages =        4618
257	–	}
47
48	<	@Article{Zwanzig83,
49	<	author =       {R. Zwanzig},
50	<	title =        {On the relation between self-diffusion and viscosity
51	<	of liquids},
52	<	journal =      jcp,
53	<	year =         1983,
54	<	volume =       79,
55	<	pages =        {4507-4508}
56	<	}
57	<
58	<	@Article{Zwanzig88,
59	<	author =       {R. Zwanzig},
271	<	title =        {Diffusion in rough potential},
272	<	journal =      {Proc. Natl. Acad. Sci. USA},
273	<	year =         1988,
274	<	volume =       85,
275	<	pages =        2029
276	<	}
48	>	@article{Weber00,
49	>	Author = {W. Weber and P.~H. H\"{u}nenberger and J.~A. McCammon},
50	>	Date-Added = {2006-03-16 09:49:22 -0500},
51	>	Date-Modified = {2006-03-16 09:51:17 -0500},
52	>	Doi = {10.1021/jp9937757},
53	>	Journal = {J. Phys. Chem. B},
54	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicityMD_00.pdf},
55	>	Number = {15},
56	>	Pages = {3668-3675},
57	>	Title = {Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation},
58	>	Volume = {104},
59	>	Year = {2000}}
60
61	<	@Article{Stillinger95,
62	<	author =       {F.~H. Stillinger},
63	<	title =        {A Topographic View of Supercooled Liquids and Glass
64	<	Formation},
65	<	journal =      {Science},
66	<	year =         1995,
67	<	volume =       267,
68	<	pages =        {1935-1939}
69	<	}
61	>	@article{Hunenberger99,
62	>	Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
63	>	Date-Added = {2006-03-16 09:45:10 -0500},
64	>	Date-Modified = {2006-03-16 09:49:15 -0500},
65	>	Journal = {Biophys. Chem.},
66	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicity_99.pdf},
67	>	Pages = {69-88},
68	>	Title = {Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study},
69	>	Volume = {78},
70	>	Year = {1999}}
71
72	<	@InCollection{Angell85,
73	<	author =       {C.~A. Angell},
74	<	title =        {unknown},
75	<	booktitle =    {Relaxations in Complex Systems},
76	<	publisher =    {National Technical Information Service,
77	<	U.S. Department of Commerce},
78	<	year =         1985,
79	<	editor =       {K.~Ngai and G.~B. Wright},
80	<	address =      {Springfield, VA},
81	<	pages =        1
82	<	}
72	>	@article{Petersen95,
73	>	Author = {H.~G. Petersen},
74	>	Date-Added = {2006-03-16 08:43:02 -0500},
75	>	Date-Modified = {2006-03-16 08:44:32 -0500},
76	>	Journal = {J. Chem. Phys.},
77	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Petersen_AccuracyofPME_95.pdf},
78	>	Month = {September},
79	>	Number = {9},
80	>	Pages = {3668-3679},
81	>	Title = {Accuracy and efficiency of the particle mesh Ewald method},
82	>	Volume = {103},
83	>	Year = {1995}}
84
85	<	@Article{Bembenek96,
86	<	author =       {S.~D. Bembenek and B.~B. Laird},
87	<	title =        {The role of localization in glasses and supercooled liquids},
88	<	journal =      jcp,
89	<	year =         1996,
90	<	volume =       104,
91	<	pages =        5199
92	<	}
85	>	@article{Luty95,
86	>	Author = {B.~A. Luty and I.~G. Tironi and W.~F. {van~Gunsteren}},
87	>	Date-Added = {2006-03-16 08:39:13 -0500},
88	>	Date-Modified = {2006-03-16 08:41:15 -0500},
89	>	Journal = {J. Chem. Phys.},
90	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_LatticeSumElectrostatics_95.pdf},
91	>	Number = {8},
92	>	Pages = {3014-3021},
93	>	Title = {Lattice-sum methods for calculating electrostatic interactions in molecular simulations},
94	>	Volume = {103},
95	>	Year = {1995}}
96
97	<	@Article{Sun97,
98	<	author =       {X. Sun and W.~H. Miller},
99	<	title =        {Semiclassical initial value representation for
100	<	electronically nonadiabatic molecular dynamics},
101	<	journal =      jcp,
102	<	year =         1997,
103	<	volume =       106,
104	<	pages =        6346
105	<	}
97	>	@article{Barker73,
98	>	Author = {J.~A. Barker and R.~O. Watts },
99	>	Date-Added = {2006-03-15 18:58:17 -0500},
100	>	Date-Modified = {2006-03-15 21:17:31 -0500},
101	>	Journal = {Mol. Phys.},
102	>	Pages = {789=792},
103	>	Title = {Monte Carlo studies of the dielectric properties of water-like models},
104	>	Volume = {26},
105	>	Year = {1973}}
106
107	<	@Article{Spath96,
108	<	author =       {B.~W. Spath and W.~H. Miller},
109	<	title =        {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION
110	<	PROBABILITIES},
111	<	journal =      jcp,
112	<	year =         1996,
113	<	volume =       104,
114	<	pages =        95
115	<	}
107	>	@article{Adams79,
108	>	Author = {D.~J. Adams and E.~M. Adams and G.~J. Hills},
109	>	Date-Added = {2006-03-15 17:46:36 -0500},
110	>	Date-Modified = {2006-03-15 17:48:04 -0500},
111	>	Journal = {Mol. Phys.},
112	>	Number = {2},
113	>	Pages = {387-400},
114	>	Title = {The computer simulation of polar liquids},
115	>	Volume = {38},
116	>	Year = {1979}}
117
118	<	@Book{Warshel91,
119	<	author =       {Arieh Warshel},
120	<	title =        {Computer modeling of chemical reactions in enzymes
121	<	and solutions},
122	<	publisher =    {Wiley},
123	<	year =         1991,
124	<	address =      {New York}
125	<	}
118	>	@article{Rahman71,
119	>	Author = {A. Rahman and F.~H. Stillinger},
120	>	Date-Added = {2006-03-15 17:04:53 -0500},
121	>	Date-Modified = {2006-03-15 17:07:29 -0500},
122	>	Journal = {J. Chem. Phys.},
123	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Rahman_MDWater_71.pdf},
124	>	Month = {October},
125	>	Number = {7},
126	>	Pages = {3336-3359},
127	>	Title = {Molecular Dynamics Study of Liquid Water},
128	>	Volume = {55},
129	>	Year = {1971}}
130
131	<	@Article{Vuilleumier97,
132	<	author =       {Rodolphe Vuilleumier and Daniel Borgis},
133	<	title =        {Molecular Dynamics of an excess proton in water
134	<	using a non-additive valence bond force field},
135	<	journal =      jpc,
136	<	year =         1997,
137	<	volume =       {in press}
138	<	}
131	>	@article{Andrea83,
132	>	Author = {T.~A. Andrea and W.~C. Swope and H.~C. Andersen},
133	>	Date-Added = {2006-03-15 15:16:12 -0500},
134	>	Date-Modified = {2006-03-15 15:18:10 -0500},
135	>	Journal = {J. Chem. Phys.},
136	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Andrea_LongRangeForcesInWater_83.pdf},
137	>	Number = {9},
138	>	Pages = {4576-4584},
139	>	Title = {The role of long ranged forces in determining the structure and properties of liquid water},
140	>	Volume = {79},
141	>	Year = {1983}}
142
143	<	@Article{Kob95a,
144	<	author =       {W. Kob and H.~C. Andersen},
145	<	title =        {Testing mode-coupling theory for a supercooled
146	<	binary Lennard-Jones mixtures: The van Hove
147	<	corraltion function},
148	<	journal =      pre,
149	<	year =         1995,
150	<	volume =       51,
151	<	pages =        {4626-4641}
152	<	}
143	>	@article{Brush66,
144	>	Author = {S.~G. Brush and H.~L. Sahlin and E. Teller},
145	>	Date-Added = {2006-03-13 16:55:39 -0500},
146	>	Date-Modified = {2006-03-13 17:01:15 -0500},
147	>	Journal = {J. Chem. Phys.},
148	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Brush_MCEwaldApplication_66.pdf},
149	>	Month = {September},
150	>	Number = {6},
151	>	Pages = {2102-2118},
152	>	Title = {Monte Carlo Study of a One-Component Plasma. I},
153	>	Volume = {45},
154	>	Year = {1966}}
155
156	<	@Article{Kob95b,
157	<	author =       {W. Kob and H.~C. Andersen},
158	<	title =        {Testing mode-coupling theory for a supercooled
159	<	binary Lennard-Jones mixtures. II. Intermediate
160	<	scattering function and dynamic susceptibility},
161	<	journal =      pre,
162	<	year =         1995,
163	<	volume =       52,
366	<	pages =        {4134-4153}
367	<	}
156	>	@article{Ewald21,
157	>	Author = {P.~P. Ewald},
158	>	Date-Added = {2006-03-13 13:32:04 -0500},
159	>	Date-Modified = {2006-03-13 13:32:55 -0500},
160	>	Journal = {Ann. Physik},
161	>	Pages = {253},
162	>	Volume = {64},
163	>	Year = {1921}}
164
165	<	@InProceedings{Gotze89,
166	<	author =       "W. G{\"{o}}tze",
167	<	title =        "Aspects of Structural Glass Transitions",
168	<	editor =       "J.~P. Hansen and D. Levesque and J. Zinn-Justin",
169	<	volume =       "I",
170	<	pages =        "287-503",
171	<	booktitle =    "Liquids, Freezing and Glass Transitions",
172	<	year =         1989,
173	<	publisher =    "North-Holland",
174	<	address =      "Amsterdam"
175	<	}
165	>	@article{Jones56,
166	>	Author = {R.~E. Jones and D.~H. Templeton},
167	>	Date-Added = {2006-03-13 13:25:58 -0500},
168	>	Date-Modified = {2006-03-13 13:27:15 -0500},
169	>	Journal = {J. Chem. Phys.},
170	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Jones_ChargeShapeFunctions_56.pdf},
171	>	Number = {5},
172	>	Pages = {1062-1063},
173	>	Title = {Optimum Atomic Shape for Bertaut Series},
174	>	Volume = {25},
175	>	Year = {1956}}
176
177	<	@Article{Sun97a,
178	<	author =       "X. Sun and W.~H. Miller",
179	<	title =        {Mixed semiclassical-classical approaches to the
180	<	dynamics of complex molecular systems},
181	<	journal =      jcp,
182	<	year =         1997,
183	<	pages =        916
184	<	}
177	>	@article{Heyes81,
178	>	Author = {D.~M. Heyes},
179	>	Date-Added = {2006-03-13 13:12:45 -0500},
180	>	Date-Modified = {2006-03-13 13:14:27 -0500},
181	>	Journal = {J. Chem. Phys.},
182	>	Keywords = {Empty Keywords},
183	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Heyes_CoulombChargeSpreading_81.pdf},
184	>	Number = {3},
185	>	Pages = {1924-1929},
186	>	Title = {Electrostatic potentials and fields in infinite point charge lattices},
187	>	Volume = {74},
188	>	Year = {1981}}
189
190	<	@Article{Keshavamurthy94,
191	<	author =       "S. Keshavamurthy and W.~H. Miller",
192	<	title =        "ivr",
193	<	journal =      cpl,
194	<	year =         1994,
195	<	volume =       218,
196	<	pages =        189
197	<	}
190	>	@article{Steinbach94,
191	>	Author = {P.~J. Steinbach and B.~R. Brooks},
192	>	Date-Added = {2006-03-12 19:26:45 -0500},
193	>	Date-Modified = {2006-03-12 19:29:43 -0500},
194	>	Doi = {10.1002/jcc.540150702},
195	>	Journal = {J. Comput. Chem.},
196	>	Number = {7},
197	>	Pages = {667-683},
198	>	Title = {New spherical-cutoff methods for long-range forces in macromolecular simulation},
199	>	Volume = {15},
200	>	Year = {1994}}
201
202	<	@Article{Billing75,
203	<	author =       "G.~D. Billing",
204	<	title =        "ehrenfest",
205	<	journal =      cpl,
206	<	year =         1975,
207	<	volume =       30,
208	<	pages =        391
209	<	}
202	>	@article{deLeeuw80,
203	>	Author = {S.~W. {de Leeuw} and J.~W. Perram and E.~R. Smith},
204	>	Date-Added = {2006-03-07 10:26:31 -0500},
205	>	Date-Modified = {2006-03-07 10:30:11 -0500},
206	>	Journal = {Proc. R. Soc. London Ser. A},
207	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/deLeeuw_EwaldSum_80.pdf},
208	>	Number = {1752},
209	>	Pages = {27-56},
210	>	Title = {Simulation of Electostatic Systems in Periodic Boundary Conditions. I. Lattice Sums and Dielectric Constants},
211	>	Volume = {373},
212	>	Year = {1980}}
213
214	<	@Article{Chang90,
215	<	author =       {Y.-T. Chang and W.~H. Miller},
216	<	title =        {An Empirical Valence Bond Model for Constructing
217	<	Global Potential Energy Surfaces for Chemical
218	<	Reactions of Polyatomic Molecular Systems},
219	<	journal =      jpc,
220	<	year =         1990,
221	<	volume =       94,
222	<	pages =        {5884-5888}
223	<	}
214	>	@article{Essmann95,
215	>	Author = {U. Essmann and L. Perera and M.~L. Berkowitz and T. Darden and H. Lee and L.~G. Pedersen},
216	>	Date-Added = {2006-03-05 12:25:25 -0500},
217	>	Date-Modified = {2006-03-05 12:29:07 -0500},
218	>	Journal = {J. Chem. Phys.},
219	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/toCite/Essmann_SmoothPME_95.pdf},
220	>	Number = {19},
221	>	Pages = {8577-8593},
222	>	Title = {A smooth particle mesh Ewald method},
223	>	Volume = {103},
224	>	Year = {1995}}
225
226	<	@Article{Shor94,
227	<	author =       {P.W. Shor},
228	<	title =        {Algorithms for quantum computation: discrete
229	<	logarithms and factoring},
230	<	journal =      {Proceedings of the 35th Annual Symposium
231	<	on Foundations of Computer Science},
232	<	year =         1994,
233	<	pages =        {124-134}
234	<	}
226	>	@article{Kast03,
227	>	Author = {S.~M. Kast and K.~F. Schmidt and B. Schilling},
228	>	Date-Added = {2006-02-18 16:47:26 -0500},
229	>	Date-Modified = {2006-02-18 16:51:25 -0500},
230	>	Journal = {Chem. Phys. Lett.},
231	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/WolfApplications/Kast_dampedCoulomb_03.pdf},
232	>	Pages = {398-404},
233	>	Title = {Integral equation theory for correcting truncation errors in molecular simulations},
234	>	Volume = {367},
235	>	Year = {2003}}
236
237	<	@Article{Feynman82,
238	<	author =       {R.~P. Feynman},
239	<	title =        {Simulating physics with computers},
240	<	journal =      {Int. J. Theor. Phys.},
241	<	year =         1982,
242	<	volume =       21,
243	<	pages =        {467-488}
244	<	}
237	>	@article{Tobias01,
238	>	Author = {D.~J. Tobias},
239	>	Date-Added = {2006-02-15 11:28:58 -0500},
240	>	Date-Modified = {2006-02-15 11:32:16 -0500},
241	>	Journal = {Curr. Opin. Struct. Biol.},
242	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Tobias_ElectrostaticsCalculations_01.pdf},
243	>	Pages = {253-261},
244	>	Title = {Electrostatics calculations: recent methodological advances and applications to membranes},
245	>	Volume = {11},
246	>	Year = {2001}}
247
248	<	@Article{Grover97,
249	<	author =       {L.~K. Grover},
250	<	title =        {Quantum computers can search arbitrarily large
251	<	databases by a single query},
252	<	journal =      prl,
253	<	year =         1997,
254	<	volume =       79,
255	<	pages =        {4709-4712}
256	<	}
248	>	@article{Zahn02,
249	>	Author = {D. Zahn and B. Schilling and S.~M. Kast},
250	>	Date-Added = {2006-02-15 09:21:27 -0500},
251	>	Date-Modified = {2006-02-15 09:24:07 -0500},
252	>	Journal = {J. Phys. Chem. B},
253	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/WolfApplications/Zahn_enhancedWolfH2O_02.pdf},
254	>	Number = {41},
255	>	Pages = {10725-10732},
256	>	Title = {Enhancement of the Wolf Damped Coulomb Potential: Static, Dynamic, and Dielectric Properties of Liquid Water from Molecular Simulation},
257	>	Volume = {106},
258	>	Year = {2002}}
259
260	<	@Article{Chuang98,
261	<	author =       {I. Chuang and N. Gershenfeld and M. Kubinec},
262	<	title =        {Experimental Implementation of Fast Quantum Searching},
263	<	journal =      prl,
264	<	year =         1998,
265	<	volume =       80,
266	<	pages =        {3408-3411}
267	<	}
260	>	@article{Wolf99,
261	>	Author = {D. Wolf and P. Keblinski and S.~R. Phillpot and J. Eggebrecht},
262	>	Date-Added = {2006-02-15 09:09:39 -0500},
263	>	Date-Modified = {2006-02-15 09:25:30 -0500},
264	>	Journal = {J. Chem. Phys.},
265	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/Wolf_electroCorr_99.pdf},
266	>	Number = {17},
267	>	Pages = {8255-8282},
268	>	Rating = {0},
269	>	Read = {No},
270	>	Title = {Exact method for the simulation of Coulombic systems by spherically truncated, pairwise},
271	>	Volume = {110},
272	>	Year = {1999}}
273
274	<	@Article{Monroe95,
275	<	author =       "C. Monroe and D.~M. Meekhof and B.~E. King and
276	<	W.~M. Itano and D.~J. Wineland",
277	<	title =        {Demonstration of a fundamental quantum logic gate},
278	<	journal =      prl,
279	<	year =         1995,
463	<	volume =       75,
464	<	pages =        4714
465	<	}
274	>	@book{Berne90,
275	>	Address = {Malabar, Florida},
276	>	Author = {B.~J. Berne and R. Pecora},
277	>	Publisher = {Robert E. Krieger Publishing Company, Inc.},
278	>	Title = {Dynamic Light Scattering},
279	>	Year = 1990}
280
281	<	@Article{Lent93,
282	<	author =       "C.~S. Lent and P.~D. Tougaw and W.~Porod and
283	<	G.~H. Bernstein",
284	<	title =        {Quantum Cellular Automata},
285	<	journal =      {Nanotechnology},
286	<	year =         1993,
287	<	volume =       4,
474	<	pages =        {49-57}
475	<	}
281	>	@article{Evans77,
282	>	Author = {D.~J. Evans},
283	>	Journal = {Mol. Phys.},
284	>	Pages = {317-325},
285	>	Title = {On the representation of orientation space},
286	>	Volume = 34,
287	>	Year = 1977}
288
289	<	@Article{Barenco95,
290	<	author =       "A. Barenco and C.~H. Bennett and R. Cleve and
291	<	D.~P. DiVincenzo and N. Margolus and P. Shor and
292	<	T. Sleator and J.~A. Smolin and H. Weinfurter",
293	<	title =        {elementary gates for quantum computation},
294	<	journal =      {Phys. Rev. A},
295	<	year =         1995,
484	<	volume =       52,
485	<	pages =        {3457-3467}
486	<	}
289	>	@article{Tuckerman92,
290	>	Author = {M. Tuckerman and B.~J. Berne and G.~J. Martyna},
291	>	Journal = jcp,
292	>	Pages = {1990-2001},
293	>	Title = {Reversible multiple time scale molecular dynamics},
294	>	Volume = 97,
295	>	Year = 1992}
296
297	<	@Article{Small97,
298	<	author =       {T. Reinot and J.~M. Hayes and G.~J. Small},
299	<	title =        {Electronic dephasing and electron-phonon coupling of
300	<	aluminum phthalocyanine tetrasulphonate in
301	<	hyperquenched and annealed glassy films of ethanol
302	<	and methanol over a broad temperature range},
303	<	journal =      jcp,
304	<	year =         1997,
496	<	volume =       106,
497	<	pages =        {457-466}
498	<	}
297	>	@book{Hansen86,
298	>	Address = {London},
299	>	Author = {J.~P. Hansen and I.~R. McDonald},
300	>	Chapter = 7,
301	>	Pages = {199-206},
302	>	Publisher = {Academic Press},
303	>	Title = {Theory of Simple Liquids},
304	>	Year = 1986}
305
306	<	@Article{Laflamme96,
307	<	author =       {R. Laflamme and C. Miquel and J.~P. Paz and W.~H. Zurek},
308	<	title =        {A perfect quantum error correcting code: 5 bit code
309	<	correcting a general 1 qubit error to encode 1 qubit
310	<	of information},
311	<	journal =      prl,
312	<	year =         1996,
313	<	volume =       98,
508	<	pages =        77
509	<	}
306	>	@article{Angelani98,
307	>	Author = {L. Angelani and G. Parisi and G. Ruocco and G. Viliani},
308	>	Journal = prl,
309	>	Number = 21,
310	>	Pages = {4648-4651},
311	>	Title = {Connected Network of Minima as a Model Glass: Long Time Dynamics},
312	>	Volume = 81,
313	>	Year = 1998}
314
315	<	@Article{Shor95,
316	<	author =       {P.~W. Shor},
317	<	title =        {SCHEME FOR REDUCING DECOHERENCE IN QUANTUM COMPUTER MEMORY},
318	<	journal =      {Phys. Rev. A},
319	<	year =         1995,
320	<	volume =       52,
321	<	pages =        {2493-2496}
322	<	}
315	>	@article{Stillinger82,
316	>	Author = {F.~H. Stillinger and T.~A. Weber},
317	>	Journal = pra,
318	>	Number = 2,
319	>	Pages = {978-989},
320	>	Title = {Hidden structure in liquids},
321	>	Volume = 25,
322	>	Year = 1982}
323
324	<	@Article{Calderbank96,
325	<	author =       {A.~R. Calderbank and P.~W. Shor},
326	<	title =        {Good quantum error-correcting codes exist},
327	<	journal =      {Phys. Rev. A},
328	<	year =         1996,
329	<	volume =       54,
330	<	pages =        {1098-1105}
331	<	}
324	>	@article{Stillinger83,
325	>	Author = {F.~H. Stillinger and T.~A. Weber},
326	>	Journal = pra,
327	>	Number = 4,
328	>	Pages = {2408-2416},
329	>	Title = {Dynamics of structural transitions in liquids},
330	>	Volume = 28,
331	>	Year = 1983}
332
333	<	@Article{Steane96,
334	<	author =       {A.~M. Steane},
335	<	title =        {Error correcting codes in quantum theory},
336	<	journal =      prl,
337	<	year =         1996,
338	<	volume =       77,
339	<	pages =        {793-797}
340	<	}
333	>	@article{Weber84,
334	>	Author = {T.~A. Weber and F.~H. Stillinger},
335	>	Journal = jcp,
336	>	Number = 6,
337	>	Pages = {2742-2746},
338	>	Title = {The effect of density on the inherent structure in liquids},
339	>	Volume = 80,
340	>	Year = 1984}
341
342	<	@Article{Gezelter95,
343	<	author =       {J.~D. Gezelter and W.~H. Miller},
344	<	title =        {RESONANT FEATURES IN THE ENERGY-DEPENDENCE OF THE
345	<	RATE OF KETENE ISOMERIZATION},
346	<	journal =      jcp,
347	<	year =         1995,
348	<	volume =       103,
349	<	pages =        {7868-7876}
546	<	}
547	<
548	<	@Article{Chakrabarti92,
549	<	author =       {A.~C. Chakrabarti and D.~W. Deamer},
550	<	title =        {PERMEABILITY OF LIPID BILAYERS TO AMINO-ACIDS AND PHOSPHATE},
551	<	journal =      {Biochimica et Biophysica Acta},
552	<	year =         1992,
553	<	volume =       1111,
554	<	pages =        {171-177}
555	<	}
342	>	@article{Stillinger85,
343	>	Author = {F.~H. Stillinger and T.~A. Weber},
344	>	Journal = jcp,
345	>	Number = 9,
346	>	Pages = {4767-4775},
347	>	Title = {Inherent structure theory of liquids in the hard-sphere limit},
348	>	Volume = 83,
349	>	Year = 1985}
350
351	<	@Article{Paula96,
352	<	author =       {S. Paula and A.~G. Volkov and A.~N. VanHoek and
353	<	T.~H. Haines and D.~W. Deamer},
354	<	title =        {Permeation of protons, potassium ions, and small
355	<	polar molecules through phospholipid bilayers as a
356	<	function of membrane thickness},
357	<	journal =      {Biophys. J.},
564	<	year =         1996,
565	<	volume =       70,
566	<	pages =        {339-348}
567	<	}
351	>	@article{Stillinger98,
352	>	Author = {S. Sastry and P.~G. Debenedetti and F.~H. Stillinger},
353	>	Journal = {Nature},
354	>	Pages = {554-557},
355	>	Title = {Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid},
356	>	Volume = 393,
357	>	Year = 1998}
358
359	<	@Article{Little96,
360	<	author =       {H.~J. Little},
361	<	title =        {How has molecular pharmacology contributed to our
362	<	understanding of the mechanism(s) of general
363	<	anesthesia?},
364	<	journal =      {Pharmacology \& Therapeutics},
365	<	year =         1996,
366	<	volume =       69,
577	<	pages =        {37-58}
578	<	}
359	>	@article{Parkhurst75a,
360	>	Author = {H.~J. {Parkhurst, Jr.} and J. Jonas},
361	>	Journal = jcp,
362	>	Number = 6,
363	>	Pages = {2698-2704},
364	>	Title = {Dense liquids. I. The effect of density and temperature on viscosity of tetramethylsilane and benzene-$\mbox{D}_6$},
365	>	Volume = 63,
366	>	Year = 1975}
367
368	<	@Article{McKinnon92,
369	<	author =       {S.~J. McKinnon and S.~L. Whittenburg and B. Brooks},
370	<	title =        {Nonequilibrium Molecular Dynamics Simulation of
371	<	Oxygen Diffusion through Hexadecane Monolayers with
372	<	Varying Concentrations of Cholesterol},
373	<	journal =      jpc,
374	<	year =         1992,
375	<	volume =       96,
588	<	pages =        {10497-10506}
589	<	}
368	>	@article{Parkhurst75b,
369	>	Author = {H.~J. {Parkhurst, Jr.} and J. Jonas},
370	>	Journal = jcp,
371	>	Number = 6,
372	>	Pages = {2705-2709},
373	>	Title = {Dense liquids. II. The effect of density and temperature on viscosity of tetramethylsilane and benzene},
374	>	Volume = 63,
375	>	Year = 1975}
376
377	<	@Article{Venable93,
378	<	author =       {R.~M. Venable and Y. Zhang and B.~J. Hardy and
379	<	R.~W. Pastor},
380	<	title =        {Molecular Dynamics Simulations of a Lipid Bilayer
381	<	and of Hexadecane: An Investigation of Membrane Fluidity},
382	<	journal =      {Science},
383	<	year =         1993,
598	<	volume =       262,
599	<	pages =        {223-226}
600	<	}
377	>	@article{Forester97,
378	>	Author = {T.~R. Forester and W. Smith and J.~H.~R. Clarke},
379	>	Journal = {J. Chem. Soc. - Faraday Transactions},
380	>	Pages = {613-619},
381	>	Title = {Antibiotic activity of valinomycin - Molecular dynamics simulations involving the water/membrane interface},
382	>	Volume = 93,
383	>	Year = 1997}
384
385	<	@Article{Essmann99,
386	<	author =       {U. Essmann and M.~L. Berkowitz},
387	<	title =        {Dynamical properties of phospholipid bilayers from
388	<	computer simulation},
389	<	journal =      {Biophys. J.},
390	<	year =         1999,
391	<	volume =       76,
609	<	pages =        {2081-2089}
610	<	}
385	>	@article{Tieleman98,
386	>	Author = {D.~P. Tieleman and H.~J.~C. Berendsen},
387	>	Journal = {Biophys. J.},
388	>	Pages = {2786-2801},
389	>	Title = {A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer},
390	>	Volume = 74,
391	>	Year = 1998}
392
393	<	@Article{Tu98,
394	<	author =       {K.~C. Tu and M. Tarek and M.~L. Klein and D. Scharf},
395	<	title =        {Effects of anesthetics on the structure of a
396	<	phospholipid bilayer: Molecular dynamics
397	<	investigation of halothane in the hydrated liquid
398	<	crystal phase of dipalmitoylphosphatidylcholine},
399	<	journal =      {Biophys. J.},
619	<	year =         1998,
620	<	volume =       75,
621	<	pages =        {2123-2134}
622	<	}
393	>	@article{Cascales98,
394	>	Author = {J.~J.~L. Cascales and J.~G.~H. Cifre and J.~G. de~la~Torre},
395	>	Journal = {J. Phys. Chem. B},
396	>	Pages = {625-631},
397	>	Title = {Anaesthetic mechanism on a model biological membrane: A molecular dynamics simulation study},
398	>	Volume = 102,
399	>	Year = 1998}
400
401	<	@Article{Pomes96,
402	<	author =       {R. Pomes and B. Roux},
403	<	title =        {Structure and dynamics of a proton wire: A
404	<	theoretical study of H+ translocation along the
405	<	single-file water chain in the gramicidin a channel},
406	<	journal =      {Biophys. J.},
407	<	year =         1996,
631	<	volume =       71,
632	<	pages =        {19-39}
633	<	}
401	>	@article{Bassolino95,
402	>	Author = {D. Bassolino and H.~E. Alper and T.~R. Stouch},
403	>	Journal = {J. Am. Chem. Soc.},
404	>	Pages = {4118-4129},
405	>	Title = {MECHANISM OF SOLUTE DIFFUSION THROUGH LIPID BILAYER-MEMBRANES BY MOLECULAR-DYNAMICS SIMULATION},
406	>	Volume = 117,
407	>	Year = 1995}
408
409	<	@Article{Duwez60,
410	<	author =       {P. Duwez and R.~H. Willens and W. {Klement~Jr.}},
411	<	title =        {Continuous Series of Metastable Solid Solutions in
412	<	Silver-Copper Alloys},
413	<	journal =      {J. Appl. Phys.},
414	<	year =         1960,
415	<	volume =       31,
642	<	pages =        {1136-1137}
643	<	}
409	>	@article{Alper95,
410	>	Author = {H.~E. Alper and T.~R. Stouch},
411	>	Journal = {J. Phys. Chem.},
412	>	Pages = {5724-5731},
413	>	Title = {ORIENTATION AND DIFFUSION OF A DRUG ANALOG IN BIOMEMBRANES - MOLECULAR-DYNAMICS SIMULATIONS},
414	>	Volume = 99,
415	>	Year = 1995}
416
417	<	@Article{Peker93,
418	<	author =       {A. Peker and W.~L. Johnson},
419	<	title =        {A highly processable metallic-glass -
420	<	$\mbox{Zr}_{41.2}\mbox{Ti}_{13.8}\mbox{Cu}_{12.5}\mbox{Ni}_{10.0}\mbox{Be}_{22.5}$},
421	<	journal =      {Appl. Phys. Lett.},
422	<	year =         1993,
423	<	volume =       63,
652	<	pages =        {2342-2344}
653	<	}
417	>	@article{Sok92,
418	>	Author = {R.~M. Sok and H.~J.~C. Berendsen and W.~F. van~Gunsteren},
419	>	Journal = {J. Chem. Phys.},
420	>	Pages = {4699-4704},
421	>	Title = {MOLECULAR-DYNAMICS SIMULATION OF THE TRANSPORT OF SMALL MOLECULES ACROSS A POLYMER MEMBRANE},
422	>	Volume = 96,
423	>	Year = 1992}
424
425	<	@Article{ChoiYim97,
426	<	author =       {H. Choi-Yim and W.~L. Johnson},
427	<	title =        {Bulk metallic glass matrix composites},
428	<	journal =      {Appl. Phys. Lett.},
429	<	year =         1997,
430	<	volume =       71,
431	<	pages =        {3808-3810}
662	<	}
425	>	@article{Rabani99,
426	>	Author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
427	>	Journal = prl,
428	>	Pages = {3649},
429	>	Title = {Direct Observation of Stretched-Exponential Relaxation in Low-Temperature Lennard-Jones Systems Using the Cage Correlation Function},
430	>	Volume = 82,
431	>	Year = {1999}}
432
433	<	@Article{Sun96,
434	<	author =       {X. Sun and S. Schneider and U. Geyer and
435	<	W.~L. Johnson and M.~A. Nicolet},
436	<	title =        {Oxidation and crystallization of an amorphous
437	<	$\mbox{Zr}_{60}\mbox{Al}_{15}\mbox{Ni}_{25}$ alloy},
438	<	journal =      {J. Mater. Res.},
439	<	year =         1996,
671	<	volume =       11,
672	<	pages =        {2738-2743}
673	<	}
433	>	@article{Rabani97,
434	>	Author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
435	>	Journal = {J. Chem. Phys.},
436	>	Pages = {6867-6876},
437	>	Title = {Calculating the hopping rate for self-diffusion on rough potential energy surfaces: Cage correlations},
438	>	Volume = 107,
439	>	Year = 1997}
440
441	<	@Article{Heller93,
442	<	author =       {H. Heller and M. Schaefer and K. Schulten},
443	<	title =        {MOLECULAR DYNAMICS SIMULATION OF A BILAYER OF 200
444	<	LIPIDS IN THE GEL AND IN THE LIQUID-CRYSTAL PHASES},
445	<	journal =      jpc,
446	<	year =         1993,
447	<	volume =       97,
682	<	pages =        {8343-8360}
683	<	}
441	>	@article{Gezelter99,
442	>	Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
443	>	Journal = jcp,
444	>	Pages = 3444,
445	>	Title = {Methods for calculating the hopping rate for orientational and spatial diffusion in a molecular liquid: $\mbox{CS}_{2}$},
446	>	Volume = 110,
447	>	Year = 1999}
448
449	<	@Article{Kushick76,
450	<	author =       {J. Kushick and B.~J. Berne},
451	<	title =        {Computer Simulation of anisotropic molecular fluids},
452	<	journal =      jcp,
453	<	year =         1976,
454	<	volume =       64,
455	<	pages =        {1362-1367}
456	<	}
449	>	@article{Gezelter98,
450	>	Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
451	>	Date-Modified = {2006-02-15 10:18:42 -0500},
452	>	Journal = jcp,
453	>	Pages = 4695,
454	>	Title = {Response to 'Comment on a Critique of the Instantaneous Normal Mode (INM) Approach to Diffusion'},
455	>	Volume = 109,
456	>	Year = 1998}
457
458	<	@Article{Berardi96,
459	<	author =       {R. Berardi and S. Orlandi and C Zannoni},
460	<	title =        {Antiphase structures in polar smectic liquid
461	<	crystals and their molecular origin},
462	<	journal =      cpl,
463	<	year =         1996,
464	<	volume =       261,
465	<	pages =        {357-362}
466	<	}
458	>	@article{Gezelter97,
459	>	Author = {J.~D. Gezelter and E. Rabani and B.~J. Berne},
460	>	Journal = jcp,
461	>	Pages = 4618,
462	>	Title = {Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion?},
463	>	Volume = 107,
464	>	Year = 1997}
465	>
466	>	@article{Zwanzig83,
467	>	Author = {R. Zwanzig},
468	>	Journal = jcp,
469	>	Pages = {4507-4508},
470	>	Title = {On the relation between self-diffusion and viscosity of liquids},
471	>	Volume = 79,
472	>	Year = 1983}
473
474	<	@Article{Berardi99,
475	<	author =       {R. Berardi and S. Orlandi and C. Zannoni},
476	<	title =        {Monte Carlo simulations of rod-like Gay-Berne
477	<	mesogens with transverse dipoles},
478	<	journal =      {Int. J. Mod. Phys. C},
479	<	year =         1999,
480	<	volume =       10,
711	<	pages =        {477-484}
712	<	}
474	>	@article{Zwanzig88,
475	>	Author = {R. Zwanzig},
476	>	Journal = {Proc. Natl. Acad. Sci. USA},
477	>	Pages = 2029,
478	>	Title = {Diffusion in rough potential},
479	>	Volume = 85,
480	>	Year = 1988}
481
482	<	@Article{Pasterny2000,
483	<	author =       {K. Pasterny and E. Gwozdz and A. Brodka},
484	<	title =        {Properties of a model liquid crystal: Polar
485	<	Gay-Berne particles},
486	<	journal =      {J. Mol. Liq.},
487	<	year =         2000,
488	<	volume =       85,
721	<	pages =        {173-184}
722	<	}
482	>	@article{Stillinger95,
483	>	Author = {F.~H. Stillinger},
484	>	Journal = {Science},
485	>	Pages = {1935-1939},
486	>	Title = {A Topographic View of Supercooled Liquids and Glass Formation},
487	>	Volume = 267,
488	>	Year = 1995}
489
490	<	@Article{Jorgensen83,
491	<	author =       {W.~L. Jorgensen and J. Chandrasekhar and
492	<	J.~D. Madura and R.~W. Impey and M.~L. Klein},
493	<	title =        {COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR
494	<	SIMULATING LIQUID WATER},
495	<	journal =      jcp,
496	<	year =         1983,
497	<	volume =       79,
498	<	pages =        {926-935}
733	<	}
490	>	@incollection{Angell85,
491	>	Address = {Springfield, VA},
492	>	Author = {C.~A. Angell},
493	>	Booktitle = {Relaxations in Complex Systems},
494	>	Editor = {K.~Ngai and G.~B. Wright},
495	>	Pages = 1,
496	>	Publisher = {National Technical Information Service, U.S. Department of Commerce},
497	>	Title = {unknown},
498	>	Year = 1985}
499
500	<	@Article{Berardi98,
501	<	author =       {R. Berardi and C. Fava and C. Zannoni},
502	<	title =        {A Gay-Berne potential for dissimilar biaxial particles},
503	<	journal =      cpl,
504	<	year =         1998,
505	<	volume =       297,
506	<	pages =        {8-14}
742	<	}
500	>	@article{Bembenek96,
501	>	Author = {S.~D. Bembenek and B.~B. Laird},
502	>	Journal = jcp,
503	>	Pages = 5199,
504	>	Title = {The role of localization in glasses and supercooled liquids},
505	>	Volume = 104,
506	>	Year = 1996}
507
508	<	@Article{Luckhurst90,
509	<	author =       {G.~R. Luckhurst and R.~A. Stephens and R.~W. Phippen},
510	<	title =        {Computer simulation studies of anisotropic systems
511	<	{XIX}. Mesophases formed by the Gay-Berne model mesogen},
512	<	journal =      {Liquid Crystals},
513	<	year =         1990,
514	<	volume =       8,
515	<	pages =        {451-464}
752	<	}
508	>	@article{Sun97a,
509	>	Author = {X. Sun and W.~H. Miller},
510	>	Date-Modified = {2006-02-15 10:33:35 -0500},
511	>	Journal = jcp,
512	>	Pages = 6346,
513	>	Title = {Semiclassical initial value representation for electronically nonadiabatic molecular dynamics},
514	>	Volume = 106,
515	>	Year = 1997}
516
517	<	@Article{Gay81,
518	<	author =       {J.~G. Gay and B.~J. Berne},
519	<	title =        {MODIFICATION OF THE OVERLAP POTENTIAL TO MIMIC A
520	<	LINEAR SITE-SITE POTENTIAL},
521	<	journal =      jcp,
522	<	year =         1981,
523	<	volume =       74,
761	<	pages =        {3316-3319}
762	<	}
517	>	@article{Spath96,
518	>	Author = {B.~W. Spath and W.~H. Miller},
519	>	Journal = jcp,
520	>	Pages = 95,
521	>	Title = {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION PROBABILITIES},
522	>	Volume = 104,
523	>	Year = 1996}
524
525	<	@Article{Berne72,
526	<	author =       {B.~J. Berne and P. Pechukas},
527	<	title =        {Gaussian Model Potentials for Molecular Interactions},
528	<	journal =      jcp,
529	<	year =         1972,
530	<	volume =       56,
770	<	pages =        {4213-4216}
771	<	}
525	>	@book{Warshel91,
526	>	Address = {New York},
527	>	Author = {Arieh Warshel},
528	>	Publisher = {Wiley},
529	>	Title = {Computer modeling of chemical reactions in enzymes and solutions},
530	>	Year = 1991}
531
532	<	@Article{Perram96,
533	<	author =       {J.~W. Perram and J. Rasmussen and E. Praestgaard and
534	<	J.~L. Lebowitz},
535	<	title =        {Ellipsoid contact potential: Theory and relation to
536	<	overlap potentials},
537	<	journal =      pre,
779	<	year =         1996,
780	<	volume =       54,
781	<	pages =        {6565-6572}
782	<	}
532	>	@article{Vuilleumier97,
533	>	Author = {Rodolphe Vuilleumier and Daniel Borgis},
534	>	Journal = jpc,
535	>	Title = {Molecular Dynamics of an excess proton in water using a non-additive valence bond force field},
536	>	Volume = {in press},
537	>	Year = 1997}
538
539	<	@Article{Cornell95,
540	<	author =       {W.~D. Cornell and P. Cieplak and C.~I. Bayly and
541	<	I.~R. Gould and K.~M. {Merz, Jr.} and D.~M. Ferguson
542	<	and D.~C. Spellmeyer and T. Fox and J.~W. Caldwell
543	<	and P.~A. Kollman},
544	<	title =        {A second generation force field for the simulation
545	<	of proteins and nucleic acids},
791	<	journal =      jacs,
792	<	year =         1995,
793	<	volume =       117,
794	<	pages =        {5179-5197}
795	<	}
539	>	@article{Kob95a,
540	>	Author = {W. Kob and H.~C. Andersen},
541	>	Journal = pre,
542	>	Pages = {4626-4641},
543	>	Title = {Testing mode-coupling theory for a supercooled binary Lennard-Jones mixtures: The van Hove corraltion function},
544	>	Volume = 51,
545	>	Year = 1995}
546
547	<	@Article{Brooks83,
548	<	author =       {B.~R. Brooks and R.~E. Bruccoleri and B.~D. Olafson
549	<	and D.~J. States and S. Swaminathan and M. Karplus},
550	<	title =        {{\sc charmm}: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations},
551	<	journal =      {J. Comp. Chem.},
552	<	year =         1983,
553	<	volume =       4,
804	<	pages =        {187-217}
805	<	}
547	>	@article{Kob95b,
548	>	Author = {W. Kob and H.~C. Andersen},
549	>	Journal = pre,
550	>	Pages = {4134-4153},
551	>	Title = {Testing mode-coupling theory for a supercooled binary Lennard-Jones mixtures. II. Intermediate scattering function and dynamic susceptibility},
552	>	Volume = 52,
553	>	Year = 1995}
554
555	<	@InCollection{MacKerell98,
556	<	author =       {A.~D. {MacKerell, Jr.} and B. Brooks and
557	<	C.~L. {Brooks III} and L. Nilsson and B. Roux and
558	<	Y. Won and and M. Karplus},
559	<	title =        {{\sc charmm}: The Energy Function and Its Parameterization
560	<	with an Overview of the Program},
561	<	booktitle =    {The Encyclopedia of Computational Chemistry},
562	<	pages =        {271-277},
563	<	publisher =    {John Wiley \& Sons},
564	<	year =         1998,
817	<	editor =       {P.~v.~R. {Schleyer, {\it et al.}}},
818	<	volume =       1,
819	<	address =      {New York}
820	<	}
555	>	@inproceedings{Gotze89,
556	>	Address = {Amsterdam},
557	>	Author = {W. G{\"{o}}tze},
558	>	Booktitle = {Liquids, Freezing and Glass Transitions},
559	>	Editor = {J.~P. Hansen and D. Levesque and J. Zinn-Justin},
560	>	Pages = {287-503},
561	>	Publisher = {North-Holland},
562	>	Title = {Aspects of Structural Glass Transitions},
563	>	Volume = {I},
564	>	Year = 1989}
565
566	<	@InCollection{Jorgensen98,
567	<	author =       {W.~L. Jorgensen},
568	<	title =        {OPLS Force Fields},
569	<	booktitle =    {The Encyclopedia of Computational Chemistry},
570	<	pages =        {1986-1989},
571	<	publisher =    {John Wiley \& Sons},
572	<	year =         1998,
829	<	editor =       {P.~v.~R. {Schleyer, {\it et al.}}},
830	<	volume =       3,
831	<	address =      {New York}
832	<	}
566	>	@article{Sun97b,
567	>	Author = {X. Sun and W.~H. Miller},
568	>	Date-Modified = {2006-02-15 10:33:29 -0500},
569	>	Journal = jcp,
570	>	Pages = 916,
571	>	Title = {Mixed semiclassical-classical approaches to the dynamics of complex molecular systems},
572	>	Year = 1997}
573
574	<	@Article{Rabani2000,
575	<	author =       {E. Rabani and J.~D. Gezelter and B.~J. Berne},
576	<	title =        {Reply to `Comment on ``Direct Observation of
577	<	Stretched-Exponential Relaxation in Low-Temperature
578	<	Lennard-Jones Systems Using th eCage Correlation
579	<	Function'' '},
580	<	journal =      prl,
841	<	year =         2000,
842	<	volume =       85,
843	<	pages =        467
844	<	}
574	>	@article{Keshavamurthy94,
575	>	Author = {S. Keshavamurthy and W.~H. Miller},
576	>	Journal = cpl,
577	>	Pages = 189,
578	>	Title = {ivr},
579	>	Volume = 218,
580	>	Year = 1994}
581
582	<	@Book{Cevc87,
583	<	author =       {G. Cevc and D. Marsh},
584	<	title =        {Phospholipid Bilayers},
585	<	publisher =    {John Wiley \& Sons},
586	<	year =         1987,
587	<	address =      {New York}
588	<	}
582	>	@article{Billing75,
583	>	Author = {G.~D. Billing},
584	>	Journal = cpl,
585	>	Pages = 391,
586	>	Title = {ehrenfest},
587	>	Volume = 30,
588	>	Year = 1975}
589
590	<	@Article{Janiak79,
591	<	author =       {M.~J. Janiak and D.~M. Small and G.~G. Shipley},
592	<	title =        {Temperature and Compositional Dependence of the
593	<	Structure of Hydrated Dimyristoyl Lecithin},
594	<	journal =      {J. Biol. Chem.},
595	<	year =         1979,
596	<	volume =       254,
861	<	pages =        {6068-6078}
862	<	}
590	>	@article{Chang90,
591	>	Author = {Y.-T. Chang and W.~H. Miller},
592	>	Journal = jpc,
593	>	Pages = {5884-5888},
594	>	Title = {An Empirical Valence Bond Model for Constructing Global Potential Energy Surfaces for Chemical Reactions of Polyatomic Molecular Systems},
595	>	Volume = 94,
596	>	Year = 1990}
597
598	<	@Book{Tobias90,
599	<	author =       {Sheila Tobias},
600	<	title =        {They're not Dumb. They're Different: Stalking the
601	<	Second Tier},
602	<	publisher =    {Research Corp.},
603	<	year =         1990,
870	<	address =      {Tucson}
871	<	}
598	>	@article{Shor94,
599	>	Author = {P.W. Shor},
600	>	Journal = {Proceedings of the 35th Annual Symposium on Foundations of Computer Science},
601	>	Pages = {124-134},
602	>	Title = {Algorithms for quantum computation: discrete logarithms and factoring},
603	>	Year = 1994}
604
605	<	@Article{Mazur92,
606	<	author =       {E. Mazur},
607	<	title =        {Qualitative vs. Quantititative Thinking: Are we
608	<	teaching the right thing? },
609	<	journal =      {Optics and Photonics News},
610	<	year =         1992,
611	<	volume =       3,
880	<	pages =        38
881	<	}
605	>	@article{Feynman82,
606	>	Author = {R.~P. Feynman},
607	>	Journal = {Int. J. Theor. Phys.},
608	>	Pages = {467-488},
609	>	Title = {Simulating physics with computers},
610	>	Volume = 21,
611	>	Year = 1982}
612
613	<	@Book{Mazur97,
614	<	author =       {Eric Mazur},
615	<	title =        {Peer Instruction: A User's Manual},
616	<	publisher =    {Prentice Hall},
617	<	year =         1997,
618	<	address =      {New Jersey}
619	<	}
613	>	@article{Grover97,
614	>	Author = {L.~K. Grover},
615	>	Journal = prl,
616	>	Pages = {4709-4712},
617	>	Title = {Quantum computers can search arbitrarily large databases by a single query},
618	>	Volume = 79,
619	>	Year = 1997}
620
621	<	@Article{Wigner55,
622	<	author =       {E.~P. Wigner},
623	<	title =        {Characteristic Vectors of Bordered Matrices with
624	<	Infinite Dimensions},
625	<	journal =      {Annals of Mathematics},
626	<	year =         1955,
627	<	volume =       62,
898	<	pages =        {548-564}
899	<	}
621	>	@article{Chuang98,
622	>	Author = {I. Chuang and N. Gershenfeld and M. Kubinec},
623	>	Journal = prl,
624	>	Pages = {3408-3411},
625	>	Title = {Experimental Implementation of Fast Quantum Searching},
626	>	Volume = 80,
627	>	Year = 1998}
628
629	<	@Article{Gaukel98,
630	<	author =       {C. Gaukel and H.~R. Schober},
631	<	title =        {Diffusion Mechanisms in under-cooled Binary Metal
632	<	Liquids of $\mbox{Zr}_{67}\mbox{Cu}_{33}$},
633	<	journal =      {Solid State Comm.},
634	<	year =         1998,
635	<	volume =       107,
908	<	pages =        {1-5}
909	<	}
629	>	@article{Monroe95,
630	>	Author = {C. Monroe and D.~M. Meekhof and B.~E. King and W.~M. Itano and D.~J. Wineland},
631	>	Journal = prl,
632	>	Pages = 4714,
633	>	Title = {Demonstration of a fundamental quantum logic gate},
634	>	Volume = 75,
635	>	Year = 1995}
636
637	<	@Article{Qi99,
638	<	author =       {Y. Qi and T. \c{C}a\v{g}in and Y.
639	<	Kimura and W.~A. {Goddard III}},
640	<	title =        {Molecular-dynamics simulations of glass formation
641	<	and crystallization in binary liquid metals: $\mbox{Cu-Ag}$
642	<	and $\mbox{Cu-Ni}$},
643	<	journal =      prb,
918	<	year =         1999,
919	<	volume =    59,
920	<	number =    5,
921	<	pages =     {3527-3533}
922	<	}
637	>	@article{Lent93,
638	>	Author = {C.~S. Lent and P.~D. Tougaw and W.~Porod and G.~H. Bernstein},
639	>	Journal = {Nanotechnology},
640	>	Pages = {49-57},
641	>	Title = {Quantum Cellular Automata},
642	>	Volume = 4,
643	>	Year = 1993}
644
645	<	@Article{Khorunzhy97,
646	<	author =       {A. Khorunzhy and G.~J. Rodgers},
647	<	title =        {Eigenvalue distribution of large dilute random matrices},
648	<	journal =      {J. Math. Phys.},
649	<	year =         1997,
650	<	volume =       38,
651	<	pages =        {3300-3320}
931	<	}
645	>	@article{Barenco95,
646	>	Author = {A. Barenco and C.~H. Bennett and R. Cleve and D.~P. DiVincenzo and N. Margolus and P. Shor and T. Sleator and J.~A. Smolin and H. Weinfurter},
647	>	Journal = {Phys. Rev. A},
648	>	Pages = {3457-3467},
649	>	Title = {elementary gates for quantum computation},
650	>	Volume = 52,
651	>	Year = 1995}
652
653	<	@Article{Rodgers88,
654	<	author =       {G.~J. Rodgers and A. Bray},
655	<	title =        {Density of States of a Sparse Random Matrix},
656	<	journal =      {Phys. Rev. B},
657	<	year =         1988,
658	<	volume =       37,
659	<	pages =        355703562
660	<	}
653	>	@article{Reinot97,
654	>	Author = {T. Reinot and J.~M. Hayes and G.~J. Small},
655	>	Date-Modified = {2006-02-15 10:31:21 -0500},
656	>	Journal = jcp,
657	>	Pages = {457-466},
658	>	Title = {Electronic dephasing and electron-phonon coupling of aluminum phthalocyanine tetrasulphonate in hyperquenched and annealed glassy films of ethanol and methanol over a broad temperature range},
659	>	Volume = 106,
660	>	Year = 1997}
661
662	<	@Article{Rodgers90,
663	<	author =       {G.~J. Rodgers and C. {De Dominicis}},
664	<	title =        {Density of states of sparse random matrices},
665	<	journal =      {J. Phys. A: Math. Gen.},
666	<	year =         1990,
667	<	volume =       23,
668	<	pages =        {1567-1573}
949	<	}
662	>	@article{Laflamme96,
663	>	Author = {R. Laflamme and C. Miquel and J.~P. Paz and W.~H. Zurek},
664	>	Journal = prl,
665	>	Pages = 77,
666	>	Title = {A perfect quantum error correcting code: 5 bit code correcting a general 1 qubit error to encode 1 qubit of information},
667	>	Volume = 98,
668	>	Year = 1996}
669
670	<	@InProceedings{Barker80,
671	<	author =       {J.~A. Barker},
672	<	title =        {Reaction field method for polar fluids},
673	<	booktitle =    {The problem of long-range forces in the computer
674	<	simulation of condensed matter},
675	<	pages =        {45-6},
676	<	year =         1980,
958	<	editor =       {D. Ceperley},
959	<	volume =       9,
960	<	series =       {NRCC Workshop Proceedings}
961	<	}
670	>	@article{Shor95,
671	>	Author = {P.~W. Shor},
672	>	Journal = {Phys. Rev. A},
673	>	Pages = {2493-2496},
674	>	Title = {SCHEME FOR REDUCING DECOHERENCE IN QUANTUM COMPUTER MEMORY},
675	>	Volume = 52,
676	>	Year = 1995}
677
678	<	@Article{Smith82,
679	<	author =       {W. Smith},
680	<	title =        {Point multipoles in the Ewald summation},
681	<	journal =      {CCP5 Quarterly},
682	<	year =         1982,
683	<	volume =       4,
684	<	pages =        {13-25}
970	<	}
678	>	@article{Calderbank96,
679	>	Author = {A.~R. Calderbank and P.~W. Shor},
680	>	Journal = {Phys. Rev. A},
681	>	Pages = {1098-1105},
682	>	Title = {Good quantum error-correcting codes exist},
683	>	Volume = 54,
684	>	Year = 1996}
685
686	<	@Article{Daw84,
687	<	author =       {M.~S. Daw and M.~I. Baskes},
688	<	title =        {Embedded-atom method: Derivation and application to
689	<	impurities, surfaces, and other defects in metals},
690	<	journal =      prb,
691	<	year =         1984,
692	<	volume =    29,
979	<	number =    12,
980	<	pages =     {6443-6453}
981	<	}
686	>	@article{Steane96,
687	>	Author = {A.~M. Steane},
688	>	Journal = prl,
689	>	Pages = {793-797},
690	>	Title = {Error correcting codes in quantum theory},
691	>	Volume = 77,
692	>	Year = 1996}
693
694	+	@article{Gezelter95,
695	+	Author = {J.~D. Gezelter and W.~H. Miller},
696	+	Journal = jcp,
697	+	Pages = {7868-7876},
698	+	Title = {RESONANT FEATURES IN THE ENERGY-DEPENDENCE OF THE RATE OF KETENE ISOMERIZATION},
699	+	Volume = 103,
700	+	Year = 1995}
701
702	<	@Article{Chen90,
703	<	author =       {A.~P. Sutton and J. Chen},
704	<	title =        {Long-Range $\mbox{Finnis Sinclair}$ Potentials},
705	<	journal =      {Phil. Mag. Lett.},
706	<	year =         1990,
707	<	volume =    61,
708	<	pages =     {139-146}
991	<	}
702	>	@article{Chakrabarti92,
703	>	Author = {A.~C. Chakrabarti and D.~W. Deamer},
704	>	Journal = {Biochimica et Biophysica Acta},
705	>	Pages = {171-177},
706	>	Title = {PERMEABILITY OF LIPID BILAYERS TO AMINO-ACIDS AND PHOSPHATE},
707	>	Volume = 1111,
708	>	Year = 1992}
709
710	<	@Article{Lu97,
711	<	author =       {J. Lu and J.~A. Szpunar},
712	<	title =        {Applications of the embedded-atom method to glass
713	<	formation and crystallization of liquid and glass
714	<	transition-metal nickel},
715	<	journal =      {Phil. Mag. A},
716	<	year =         {1997},
1000	<	volume =    {75},
1001	<	pages =        {1057-1066},
1002	<	}
710	>	@article{Paula96,
711	>	Author = {S. Paula and A.~G. Volkov and A.~N. VanHoek and T.~H. Haines and D.~W. Deamer},
712	>	Journal = {Biophys. J.},
713	>	Pages = {339-348},
714	>	Title = {Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness},
715	>	Volume = 70,
716	>	Year = 1996}
717
718	<	@Article{Shlesinger99,
719	<	author =       {M.~F. Shlesinger and J. Klafter and G. Zumofen},
720	<	title =        {Above, below, and beyond Brownian motion},
721	<	journal =      {Am. J. Phys.},
722	<	year =         1999,
723	<	volume =       67,
724	<	pages =        {1253-1259}
1011	<	}
718	>	@article{Little96,
719	>	Author = {H.~J. Little},
720	>	Journal = {Pharmacology \& Therapeutics},
721	>	Pages = {37-58},
722	>	Title = {How has molecular pharmacology contributed to our understanding of the mechanism(s) of general anesthesia?},
723	>	Volume = 69,
724	>	Year = 1996}
725
726	<	@Article{Klafter96,
727	<	author =       {J. Klafter and M. Shlesinger and G. Zumofen},
728	<	title =        {Beyond Brownian Motion},
729	<	journal =      {Physics Today},
730	<	year =         1996,
731	<	volume =       49,
732	<	pages =        {33-39}
1020	<	}
1021	<
1022	<	@Article{Blumen83,
1023	<	author =       {A. Blumen and J. Klafter and G. Zumofen},
1024	<	title =        {Recombination in amorphous materials as a
1025	<	continuous-time random-walk problem},
1026	<	journal =      {Phys. Rev. B},
1027	<	year =         1983,
1028	<	volume =       27,
1029	<	pages =        {3429-3435}
1030	<	}
1031	<
1032	<	@Article{Klafter94,
1033	<	author =       {J. Klafter and G. Zumofen},
1034	<	title =        {Probability Distributions for Continuous-Time Random
1035	<	Walks with Long Tails},
1036	<	journal =      jpc,
1037	<	year =         1994,
1038	<	volume =       98,
1039	<	pages =        {7366-7370}
1040	<	}
726	>	@article{McKinnon92,
727	>	Author = {S.~J. McKinnon and S.~L. Whittenburg and B. Brooks},
728	>	Journal = jpc,
729	>	Pages = {10497-10506},
730	>	Title = {Nonequilibrium Molecular Dynamics Simulation of Oxygen Diffusion through Hexadecane Monolayers with Varying Concentrations of Cholesterol},
731	>	Volume = 96,
732	>	Year = 1992}
733
734	+	@article{Venable93,
735	+	Author = {R.~M. Venable and Y. Zhang and B.~J. Hardy and R.~W. Pastor},
736	+	Journal = {Science},
737	+	Pages = {223-226},
738	+	Title = {Molecular Dynamics Simulations of a Lipid Bilayer and of Hexadecane: An Investigation of Membrane Fluidity},
739	+	Volume = 262,
740	+	Year = 1993}
741
742	<	@Article{Dzugutov92,
743	<	author =       {M. Dzugutov},
744	<	title =        {Glass formation in a simple monatomic liquid with
745	<	icosahedral inherent local order},
746	<	journal =      pra,
747	<	year =         1992,
748	<	volume =       46,
1050	<	pages =        {R2984-R2987}
1051	<	}
742	>	@article{Essmann99,
743	>	Author = {U. Essmann and M.~L. Berkowitz},
744	>	Journal = {Biophys. J.},
745	>	Pages = {2081-2089},
746	>	Title = {Dynamical properties of phospholipid bilayers from computer simulation},
747	>	Volume = 76,
748	>	Year = 1999}
749
750	<	@Article{Moore94,
751	<	author =       {P. Moore and T. Keyes},
752	<	title =        {Normal Mode Analysis of Liquid $\mbox{CS}_2$: Velocity
753	<	Correlation Functions and Self-Diffusion Constants},
754	<	journal =      jcp,
755	<	year =         1994,
756	<	volume =       100,
1060	<	pages =        6709
1061	<	}
750	>	@article{Tu98,
751	>	Author = {K.~C. Tu and M. Tarek and M.~L. Klein and D. Scharf},
752	>	Journal = {Biophys. J.},
753	>	Pages = {2123-2134},
754	>	Title = {Effects of anesthetics on the structure of a phospholipid bilayer: Molecular dynamics investigation of halothane in the hydrated liquid crystal phase of dipalmitoylphosphatidylcholine},
755	>	Volume = 75,
756	>	Year = 1998}
757
758	<	@Article{Seeley89,
759	<	author =       {G. Seeley and T. Keyes},
760	<	title =        {Normal-mode analysis of liquid-state dynamics},
761	<	journal =      jcp,
762	<	year =         1989,
763	<	volume =       91,
764	<	pages =        {5581-5586}
1070	<	}
758	>	@article{Pomes96,
759	>	Author = {R. Pomes and B. Roux},
760	>	Journal = {Biophys. J.},
761	>	Pages = {19-39},
762	>	Title = {Structure and dynamics of a proton wire: A theoretical study of H+ translocation along the single-file water chain in the gramicidin a channel},
763	>	Volume = 71,
764	>	Year = 1996}
765
766	<	@Article{Madan90,
767	<	author =       {B. Madan and T. Keyes and G. Seeley},
768	<	title =        {Diffusion in supercooled liquids via normal mode
769	<	analysis},
770	<	journal =      jcp,
771	<	year =         1990,
772	<	volume =       92,
1079	<	pages =        {7565-7569}
1080	<	}
766	>	@article{Duwez60,
767	>	Author = {P. Duwez and R.~H. Willens and W. {Klement~Jr.}},
768	>	Journal = {J. Appl. Phys.},
769	>	Pages = {1136-1137},
770	>	Title = {Continuous Series of Metastable Solid Solutions in Silver-Copper Alloys},
771	>	Volume = 31,
772	>	Year = 1960}
773
774	<	@Article{Madan91,
775	<	author =       {B. Madan and T. Keyes and G. Seeley},
776	<	title =        {Normal mode analysis of the velocity correlation
777	<	function in supercooled liquids},
778	<	journal =      jcp,
779	<	year =         1991,
780	<	volume =       94,
1089	<	pages =        {6762-6769}
1090	<	}
774	>	@article{Peker93,
775	>	Author = {A. Peker and W.~L. Johnson},
776	>	Journal = {Appl. Phys. Lett.},
777	>	Pages = {2342-2344},
778	>	Title = {A highly processable metallic-glass - $\mbox{Zr}_{41.2}\mbox{Ti}_{13.8}\mbox{Cu}_{12.5}\mbox{Ni}_{10.0}\mbox{Be}_{22.5}$},
779	>	Volume = 63,
780	>	Year = 1993}
781
782	<	@Article{Buchner92,
783	<	author =       {M. Buchner, B.~M. Ladanyi and R.~M. Stratt},
784	<	title =        {The short-time dynamics of molecular
785	<	liquids. Instantaneous-normal-mode theory},
786	<	journal =      jcp,
787	<	year =         1992,
788	<	volume =       97,
1099	<	pages =        {8522-8535}
1100	<	}
782	>	@article{ChoiYim97,
783	>	Author = {H. Choi-Yim and W.~L. Johnson},
784	>	Journal = {Appl. Phys. Lett.},
785	>	Pages = {3808-3810},
786	>	Title = {Bulk metallic glass matrix composites},
787	>	Volume = 71,
788	>	Year = 1997}
789
790	<	@Article{Wan94,
791	<	author =       {Yi. Wan and R.~M. Stratt},
792	<	title =        {Liquid theory for the instantaneous normal modes of
793	<	a liquid},
794	<	journal =      jcp,
795	<	year =         1994,
796	<	volume =       100,
1109	<	pages =        {5123-5138}
1110	<	}
790	>	@article{Sun96,
791	>	Author = {X. Sun and S. Schneider and U. Geyer and W.~L. Johnson and M.~A. Nicolet},
792	>	Journal = {J. Mater. Res.},
793	>	Pages = {2738-2743},
794	>	Title = {Oxidation and crystallization of an amorphous $\mbox{Zr}_{60}\mbox{Al}_{15}\mbox{Ni}_{25}$ alloy},
795	>	Volume = 11,
796	>	Year = 1996}
797
798	<	@article{Stratt95,
799	<	author =       {R.~M. Stratt},
800	<	title =        {The instantaneous normal modes of liquids},
801	<	journal =      {Acc. Chem. Res.},
802	<	year =         1995,
803	<	volume =       28,
804	<	pages =        {201-207}
1119	<	}
798	>	@article{Heller93,
799	>	Author = {H. Heller and M. Schaefer and K. Schulten},
800	>	Journal = jpc,
801	>	Pages = {8343-8360},
802	>	Title = {MOLECULAR DYNAMICS SIMULATION OF A BILAYER OF 200 LIPIDS IN THE GEL AND IN THE LIQUID-CRYSTAL PHASES},
803	>	Volume = 97,
804	>	Year = 1993}
805
806	<	@Article{Nitzan95,
807	<	author =       {G.~V. Vijayadamodar and A. Nitzan},
808	<	title =        {On the application of instantaneous normal mode
809	<	analysis to long time dynamics of liquids},
810	<	journal =      jcp,
811	<	year =         1995,
812	<	volume =       103,
1128	<	pages =        {2169-2177}
1129	<	}
806	>	@article{Kushick76,
807	>	Author = {J. Kushick and B.~J. Berne},
808	>	Journal = jcp,
809	>	Pages = {1362-1367},
810	>	Title = {Computer Simulation of anisotropic molecular fluids},
811	>	Volume = 64,
812	>	Year = 1976}
813
814	<	@Article{Ribeiro98,
815	<	author =       "M.~C.~C. Ribeiro and P.~A. Madden",
816	<	title =        "Unstable Modes in Ionic Melts",
817	<	journal =      jcp,
818	<	year =         1998,
819	<	volume =       108,
820	<	pages =        {3256-3263}
1138	<	}
814	>	@article{Berardi96,
815	>	Author = {R. Berardi and S. Orlandi and C Zannoni},
816	>	Journal = cpl,
817	>	Pages = {357-362},
818	>	Title = {Antiphase structures in polar smectic liquid crystals and their molecular origin},
819	>	Volume = 261,
820	>	Year = 1996}
821
822	<	@Article{Keyes98a,
823	<	author =       {T. Keyes and W.-X. Li and U.~Z{\"{u}}rcher},
824	<	title =        {Comment on a critique of the instantaneous normal
825	<	mode (INM) approach to diffusion
826	<	(J. Chem. Phys. {\bf 107}, 4618 (1997))},
827	<	journal =      jcp,
828	<	year =         1998,
1147	<	volume =       109,
1148	<	pages =        {4693-4694}
1149	<	}
822	>	@article{Berardi99,
823	>	Author = {R. Berardi and S. Orlandi and C. Zannoni},
824	>	Journal = {Int. J. Mod. Phys. C},
825	>	Pages = {477-484},
826	>	Title = {Monte Carlo simulations of rod-like Gay-Berne mesogens with transverse dipoles},
827	>	Volume = 10,
828	>	Year = 1999}
829
830	<	@Article{Alemany98,
831	<	author =       {M.~M.~G. Alemany and C. Rey and L.~J. Gallego},
832	<	title =        {Transport coefficients of liquid transition metals:
833	<	A computer simulation study using the embedded atom
834	<	model},
835	<	journal =      jcp,
836	<	year =         1998,
837	<	volume =       109,
1159	<	pages =        {5175-5176}
1160	<	}
830	>	@article{Pasterny00,
831	>	Author = {K. Pasterny and E. Gwozdz and A. Brodka},
832	>	Date-Modified = {2006-02-15 10:29:47 -0500},
833	>	Journal = {J. Mol. Liq.},
834	>	Pages = {173-184},
835	>	Title = {Properties of a model liquid crystal: Polar Gay-Berne particles},
836	>	Volume = 85,
837	>	Year = 2000}
838
839	<	@Article{Belonoshko00,
840	<	author =       {A.~B. Belonoshko and R. Ahuja and O. Eriksson and
841	<	B. Johansson},
842	<	title =        {Quasi ab initio molecular dynamic study of Cu melting},
843	<	journal =      prb,
844	<	year =         2000,
845	<	volume =       61,
1169	<	pages =        {3838-3844}
1170	<	}
839	>	@article{Jorgensen83,
840	>	Author = {W.~L. Jorgensen and J. Chandrasekhar and J.~D. Madura and R.~W. Impey and M.~L. Klein},
841	>	Journal = jcp,
842	>	Pages = {926-935},
843	>	Title = {COMPARISON OF SIMPLE POTENTIAL FUNCTIONS FOR SIMULATING LIQUID WATER},
844	>	Volume = 79,
845	>	Year = 1983}
846
847	<	@Article{Banhart92,
848	<	author =       {J. Banhart and H. Ebert and R. Kuentzler and
849	<	J. Voitl\"{a}nder},
850	<	title =        {Electronic properties of single-phased metastable
851	<	Ag-Cu alloys},
852	<	journal =      prb,
853	<	year =         1992,
1179	<	volume =       46,
1180	<	pages =        {9968-9975}
1181	<	}
847	>	@article{Berardi98,
848	>	Author = {R. Berardi and C. Fava and C. Zannoni},
849	>	Journal = cpl,
850	>	Pages = {8-14},
851	>	Title = {A Gay-Berne potential for dissimilar biaxial particles},
852	>	Volume = 297,
853	>	Year = 1998}
854
855	<	@Article{Wendt78,
856	<	author =       {H. Wendt and F.~F. Abraham},
857	<	title =        {},
858	<	journal =      prl,
859	<	year =         1978,
860	<	volume =       41,
861	<	pages =        1244
1190	<	}
1191	<
1192	<	@Article{Lewis91,
1193	<	author =       {L.~J. Lewis},
1194	<	title =        {Atomic dynamics through the glass transition},
1195	<	journal =      prb,
1196	<	year =         1991,
1197	<	volume =       44,
1198	<	pages =        {4245-4254}
1199	<	}
855	>	@article{Luckhurst90,
856	>	Author = {G.~R. Luckhurst and R.~A. Stephens and R.~W. Phippen},
857	>	Journal = {Liquid Crystals},
858	>	Pages = {451-464},
859	>	Title = {Computer simulation studies of anisotropic systems {XIX}. Mesophases formed by the Gay-Berne model mesogen},
860	>	Volume = 8,
861	>	Year = 1990}
862
863	<	@Article{Liu92,
864	<	author =       {R.~S. Liu and D.~W. Qi and S. Wang},
865	<	title =        {Subpeaks of structure factors for rapidly quenched metals},
866	<	journal =      prb,
867	<	year =         1992,
868	<	volume =       45,
869	<	pages =        {451-453}
1208	<	}
863	>	@article{Gay81,
864	>	Author = {J.~G. Gay and B.~J. Berne},
865	>	Journal = jcp,
866	>	Pages = {3316-3319},
867	>	Title = {MODIFICATION OF THE OVERLAP POTENTIAL TO MIMIC A LINEAR SITE-SITE POTENTIAL},
868	>	Volume = 74,
869	>	Year = 1981}
870
871	<	@Book{pliny,
872	<	author =       {Pliny},
873	<	title =        {Hist. Nat.},
874	<	publisher =    { },
875	<	year =         { },
876	<	volume =       {XXXVI}
877	<	}
871	>	@article{Berne72,
872	>	Author = {B.~J. Berne and P. Pechukas},
873	>	Journal = jcp,
874	>	Pages = {4213-4216},
875	>	Title = {Gaussian Model Potentials for Molecular Interactions},
876	>	Volume = 56,
877	>	Year = 1972}
878
879	<	@Article{Anheuser94,
880	<	author =       {K. Anheuser and J.P. Northover},
881	<	title =        {Silver plating of Roman and Celtic coins from Britan - a technical study},
882	<	journal =      {Brit. Num. J.},
883	<	year =         1994,
884	<	volume =       64,
885	<	pages =        22
1225	<	}
879	>	@article{Perram96,
880	>	Author = {J.~W. Perram and J. Rasmussen and E. Praestgaard and J.~L. Lebowitz},
881	>	Journal = pre,
882	>	Pages = {6565-6572},
883	>	Title = {Ellipsoid contact potential: Theory and relation to overlap potentials},
884	>	Volume = 54,
885	>	Year = 1996}
886
887	<	@Article{Pense92,
888	<	author =       {A. W. Pense},
889	<	title =        {The Decline and Fall of the Roman Denarius},
890	<	journal =      {Mat. Char.},
891	<	year =         1992,
892	<	volume =       29,
893	<	pages =        213
1234	<	}
887	>	@article{Cornell95,
888	>	Author = {W.~D. Cornell and P. Cieplak and C.~I. Bayly and I.~R. Gould and K.~M. {Merz, Jr.} and D.~M. Ferguson and D.~C. Spellmeyer and T. Fox and J.~W. Caldwell and P.~A. Kollman},
889	>	Journal = jacs,
890	>	Pages = {5179-5197},
891	>	Title = {A second generation force field for the simulation of proteins and nucleic acids},
892	>	Volume = 117,
893	>	Year = 1995}
894
895	<	@Article{Ngai81,
896	<	author =       {K.~L. Ngai and F.-S. Liu},
897	<	title =        {Dispersive diffusion transport and noise,
898	<	time-dependent diffusion coefficient, generalized
899	<	Einstein-Nernst relation, and dispersive
900	<	diffusion-controlled unimolecular and bimolecular
901	<	reactions},
1243	<	journal =      prb,
1244	<	year =         1981,
1245	<	volume =       24,
1246	<	pages =        {1049-1065}
1247	<	}
895	>	@article{Brooks83,
896	>	Author = {B.~R. Brooks and R.~E. Bruccoleri and B.~D. Olafson and D.~J. States and S. Swaminathan and M. Karplus},
897	>	Journal = {J. Comp. Chem.},
898	>	Pages = {187-217},
899	>	Title = {{\sc charmm}: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations},
900	>	Volume = 4,
901	>	Year = 1983}
902
903	<	@Unpublished{Truhlar00,
904	<	author =       {D.~G. Truhlar and A. Kohen},
905	<	note =         {private correspondence}
906	<	}
903	>	@incollection{MacKerell98,
904	>	Address = {New York},
905	>	Author = {A.~D. {MacKerell, Jr.} and B. Brooks and C.~L. {Brooks III} and L. Nilsson and B. Roux and Y. Won and and M. Karplus},
906	>	Booktitle = {The Encyclopedia of Computational Chemistry},
907	>	Editor = {P.~v.~R. {Schleyer, {\it et al.}}},
908	>	Pages = {271-277},
909	>	Publisher = {John Wiley \& Sons},
910	>	Title = {{\sc charmm}: The Energy Function and Its Parameterization with an Overview of the Program},
911	>	Volume = 1,
912	>	Year = 1998}
913
914	<	@Article{Truhlar78,
915	<	author =       {Donald G. Truhlar},
916	<	title =        {Interpretation of the Activation Energy},
917	<	journal =      {J. Chem. Ed.},
918	<	year =         1978,
919	<	volume =       55,
920	<	pages =        309
921	<	}
914	>	@incollection{Jorgensen98a,
915	>	Address = {New York},
916	>	Author = {W.~L. Jorgensen},
917	>	Booktitle = {The Encyclopedia of Computational Chemistry},
918	>	Date-Modified = {2006-02-15 10:21:45 -0500},
919	>	Editor = {P.~v.~R. {Schleyer, {\it et al.}}},
920	>	Pages = {1986-1989},
921	>	Publisher = {John Wiley \& Sons},
922	>	Title = {OPLS Force Fields},
923	>	Volume = 3,
924	>	Year = 1998}
925
926	<	@Book{Tolman27,
927	<	author =       {R. C. Tolman},
928	<	title =        {Statistical Mechanics with Applications to Physics and Chemistry},
929	<	chapter =      {},
930	<	publisher =    {Chemical Catalog Co.},
931	<	address =      {New York},
932	<	year =         1927,
933	<	pages =        {260-270}
1271	<	}
926	>	@article{Rabani00,
927	>	Author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
928	>	Date-Modified = {2006-02-15 10:30:55 -0500},
929	>	Journal = prl,
930	>	Pages = 467,
931	>	Title = {Reply to `Comment on ``Direct Observation of Stretched-Exponential Relaxation in Low-Temperature Lennard-Jones Systems Using th eCage Correlation Function'' '},
932	>	Volume = 85,
933	>	Year = 2000}
934
935	<	@Article{Tolman20,
936	<	author =       {R. C. Tolman},
937	<	title =        {Statistical Mechanics Applied to Chemical Kinetics},
938	<	journal =      jacs,
939	<	year =         1920,
940	<	volume =       42,
1279	<	pages =        2506
1280	<	}
935	>	@book{Cevc87,
936	>	Address = {New York},
937	>	Author = {G. Cevc and D. Marsh},
938	>	Publisher = {John Wiley \& Sons},
939	>	Title = {Phospholipid Bilayers},
940	>	Year = 1987}
941
942	<	@Article{Nagel96,
943	<	author =       {M.D. Ediger and  C.A. Angell and Sidney R. Nagel},
944	<	title =        {Supercooled Liquids and Glasses},
945	<	journal =      jpc,
946	<	year =         1996,
947	<	volume =       100,
948	<	pages =        13200
1289	<	}
942	>	@article{Janiak79,
943	>	Author = {M.~J. Janiak and D.~M. Small and G.~G. Shipley},
944	>	Journal = {J. Biol. Chem.},
945	>	Pages = {6068-6078},
946	>	Title = {Temperature and Compositional Dependence of the Structure of Hydrated Dimyristoyl Lecithin},
947	>	Volume = 254,
948	>	Year = 1979}
949
950	<	@InBook{Blumen86,
951	<	author =       {A. Blumen and J. Klafter and G. Zumofen},
952	<	editor =       {Luciano Peitronero and E. Tosatti},
953	<	title =        {Fractals in Physics},
954	<	chapter =      {Reactions in Disordered Media Modelled by Fractals},
955	<	publisher =    {North-Holland},
1297	<	year =         1986,
1298	<	series =       {International Symposium on Fractals in Physics},
1299	<	address =      {Amsterdam},
1300	<	pages =        399
1301	<	}
950	>	@book{Tobias90,
951	>	Address = {Tucson},
952	>	Author = {Sheila Tobias},
953	>	Publisher = {Research Corp.},
954	>	Title = {They're not Dumb. They're Different: Stalking the Second Tier},
955	>	Year = 1990}
956
957	<	@Article{Shlesinger84,
958	<	author =       {M.~F. Shlesinger and E.~W. Montroll},
959	<	title =        {On the Williams-Watts function of dielectric relaxation},
960	<	journal =      {Proc. Natl. Acad. Sci. USA},
961	<	year =         1984,
962	<	volume =       81,
963	<	pages =        {1280-1283}
1310	<	}
957	>	@article{Mazur92,
958	>	Author = {E. Mazur},
959	>	Journal = {Optics and Photonics News},
960	>	Pages = 38,
961	>	Title = {Qualitative vs. Quantititative Thinking: Are we teaching the right thing?},
962	>	Volume = 3,
963	>	Year = 1992}
964
965	<	@Article{Klafter86,
966	<	author =       {J. Klafter and M.~F. Shlesinger},
967	<	title =        {On the relationship among three theories of
968	<	relaxation in disordered systems},
969	<	journal =      {Proc. Natl. Acad. Sci. USA},
970	<	year =         1986,
1318	<	volume =       83,
1319	<	pages =        {848-851}
1320	<	}
965	>	@book{Mazur97,
966	>	Address = {New Jersey},
967	>	Author = {Eric Mazur},
968	>	Publisher = {Prentice Hall},
969	>	Title = {Peer Instruction: A User's Manual},
970	>	Year = 1997}
971
972	<	@Article{Li2001,
973	<	author =       {Z. Li and M. Lieberman and W. Hill},
974	<	title =        {{\sc xps} and {\sc sers} Study of Silicon Phthalocyanine
975	<	Monolayers: umbrella vs. octopus design strategies
976	<	for formation of oriented {\sc sam}s},
977	<	journal =      {Langmuir},
978	<	year =         2001,
979	<	volume =       17,
980	<	pages =        {4887-4894}
981	<	}
972	>	@article{Wigner55,
973	>	Author = {E.~P. Wigner},
974	>	Journal = {Annals of Mathematics},
975	>	Pages = {548-564},
976	>	Title = {Characteristic Vectors of Bordered Matrices with Infinite Dimensions},
977	>	Volume = 62,
978	>	Year = 1955}
979	>
980	>	@article{Gaukel98,
981	>	Author = {C. Gaukel and H.~R. Schober},
982	>	Journal = {Solid State Comm.},
983	>	Pages = {1-5},
984	>	Title = {Diffusion Mechanisms in under-cooled Binary Metal Liquids of $\mbox{Zr}_{67}\mbox{Cu}_{33}$},
985	>	Volume = 107,
986	>	Year = 1998}
987	>
988	>	@article{Qi99,
989	>	Author = {Y. Qi and T. \c{C}a\v{g}in and Y. Kimura and W.~A. {Goddard III}},
990	>	Journal = prb,
991	>	Number = 5,
992	>	Pages = {3527-3533},
993	>	Title = {Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals: $\mbox{Cu-Ag}$ and $\mbox{Cu-Ni}$},
994	>	Volume = 59,
995	>	Year = 1999}
996
997	<	@Article{Evans1993,
998	<	author =       {J.~W. Evans},
999	<	title =        {Random and Cooperative Sequential Adsorption},
1000	<	journal =      rmp,
1001	<	year =         1993,
1002	<	volume =       65,
1003	<	pages =        {1281-1329}
1340	<	}
997	>	@article{Khorunzhy97,
998	>	Author = {A. Khorunzhy and G.~J. Rodgers},
999	>	Journal = {J. Math. Phys.},
1000	>	Pages = {3300-3320},
1001	>	Title = {Eigenvalue distribution of large dilute random matrices},
1002	>	Volume = 38,
1003	>	Year = 1997}
1004
1005	+	@article{Rodgers88,
1006	+	Author = {G.~J. Rodgers and A. Bray},
1007	+	Journal = {Phys. Rev. B},
1008	+	Pages = 355703562,
1009	+	Title = {Density of States of a Sparse Random Matrix},
1010	+	Volume = 37,
1011	+	Year = 1988}
1012
1013	<	@Article{Dwyer1977,
1014	<	author =       {D.~J. Dwyer and G.~W. Simmons and R.~P. Wei},
1015	<	title =        {},
1016	<	journal =      {Surf. Sci.},
1017	<	year =         1977,
1018	<	volume =       64,
1019	<	pages =        617
1350	<	}
1013	>	@article{Rodgers90,
1014	>	Author = {G.~J. Rodgers and C. {De Dominicis}},
1015	>	Journal = {J. Phys. A: Math. Gen.},
1016	>	Pages = {1567-1573},
1017	>	Title = {Density of states of sparse random matrices},
1018	>	Volume = 23,
1019	>	Year = 1990}
1020
1021	<	@Article{Macritche1978,
1022	<	author =       {F. MacRitche},
1023	<	title =        {},
1024	<	journal =      {Adv. Protein Chem.},
1025	<	year =         1978,
1026	<	volume =       32,
1027	<	pages =        283
1028	<	}
1021	>	@inproceedings{Barker80,
1022	>	Author = {J.~A. Barker},
1023	>	Booktitle = {The problem of long-range forces in the computer simulation of condensed matter},
1024	>	Editor = {D. Ceperley},
1025	>	Pages = {45-6},
1026	>	Series = {NRCC Workshop Proceedings},
1027	>	Title = {Reaction field method for polar fluids},
1028	>	Volume = 9,
1029	>	Year = 1980}
1030
1031	<	@Article{Feder1980,
1032	<	author =       {J. Feder},
1033	<	title =        {},
1034	<	journal =      {J. Theor. Biol.},
1035	<	year =         1980,
1036	<	volume =       87,
1037	<	pages =        237
1368	<	}
1031	>	@article{Smith82,
1032	>	Author = {W. Smith},
1033	>	Journal = {CCP5 Quarterly},
1034	>	Pages = {13-25},
1035	>	Title = {Point multipoles in the Ewald summation},
1036	>	Volume = 4,
1037	>	Year = 1982}
1038
1039	<	@Article{Ramsden1993,
1040	<	author =       {J.~J. Ramsden},
1041	<	title =        {},
1042	<	journal =      prl,
1043	<	year =         1993,
1044	<	volume =       71,
1045	<	pages =        295
1046	<	}
1039	>	@article{Daw84,
1040	>	Author = {M.~S. Daw and M.~I. Baskes},
1041	>	Journal = prb,
1042	>	Number = 12,
1043	>	Pages = {6443-6453},
1044	>	Title = {Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals},
1045	>	Volume = 29,
1046	>	Year = 1984}
1047
1048	+	@article{Sutton90,
1049	+	Author = {A.~P. Sutton and J. Chen},
1050	+	Date-Modified = {2006-02-15 10:33:48 -0500},
1051	+	Journal = {Phil. Mag. Lett.},
1052	+	Pages = {139-146},
1053	+	Title = {Long-Range $\mbox{Finnis Sinclair}$ Potentials},
1054	+	Volume = 61,
1055	+	Year = 1990}
1056
1057	<	@Article{Egelhoff1989,
1058	<	author =       {W.~F. Egelhoff and I. Jacob},
1059	<	title =        {},
1060	<	journal =      prl,
1061	<	year =         1989,
1062	<	volume =       62,
1063	<	pages =        921
1387	<	}
1057	>	@article{Lu97,
1058	>	Author = {J. Lu and J.~A. Szpunar},
1059	>	Journal = {Phil. Mag. A},
1060	>	Pages = {1057-1066},
1061	>	Title = {Applications of the embedded-atom method to glass formation and crystallization of liquid and glass transition-metal nickel},
1062	>	Volume = {75},
1063	>	Year = {1997}}
1064
1065	+	@article{Shlesinger99,
1066	+	Author = {M.~F. Shlesinger and J. Klafter and G. Zumofen},
1067	+	Journal = {Am. J. Phys.},
1068	+	Pages = {1253-1259},
1069	+	Title = {Above, below, and beyond Brownian motion},
1070	+	Volume = 67,
1071	+	Year = 1999}
1072
1073	<	@Article{Viot1992a,
1074	<	author =       {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1075	<	title =        {RANDOM SEQUENTIAL ADSORPTION OF ANISOTROPIC
1076	<	PARTICLES 1. JAMMING LIMIT AND ASYMPTOTIC-BEHAVIOR},
1077	<	journal =      jpc,
1078	<	year =         1992,
1079	<	volume =       97,
1397	<	pages =        {5212-5218}
1398	<	}
1073	>	@article{Klafter96,
1074	>	Author = {J. Klafter and M. Shlesinger and G. Zumofen},
1075	>	Journal = {Physics Today},
1076	>	Pages = {33-39},
1077	>	Title = {Beyond Brownian Motion},
1078	>	Volume = 49,
1079	>	Year = 1996}
1080
1081	<	@Article{Viot1992b,
1082	<	author =       {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1083	<	title =        {SATURATION COVERAGE IN RANDOM SEQUENTIAL ADSORPTION
1084	<	OF VERY ELONGATED PARTICLES},
1085	<	journal =      {Physica A},
1086	<	year =         1992,
1087	<	volume =       191,
1407	<	pages =        {248-252}
1408	<	}
1081	>	@article{Blumen83,
1082	>	Author = {A. Blumen and J. Klafter and G. Zumofen},
1083	>	Journal = {Phys. Rev. B},
1084	>	Pages = {3429-3435},
1085	>	Title = {Recombination in amorphous materials as a continuous-time random-walk problem},
1086	>	Volume = 27,
1087	>	Year = 1983}
1088
1089	<	@Article{Dobson1987,
1090	<	author =       {B.~W. Dobson},
1091	<	title =        {},
1092	<	journal =      prb,
1093	<	year =         1987,
1094	<	volume =       36,
1095	<	pages =        1068
1417	<	}
1089	>	@article{Klafter94,
1090	>	Author = {J. Klafter and G. Zumofen},
1091	>	Journal = jpc,
1092	>	Pages = {7366-7370},
1093	>	Title = {Probability Distributions for Continuous-Time Random Walks with Long Tails},
1094	>	Volume = 98,
1095	>	Year = 1994}
1096
1097	<	@Article{Boyer1995,
1098	<	author =       {D. Boyer and P. Viot and G. Tarjus and J. Talbot},
1099	<	title =        {PERCUS-$\mbox{Y}$EVICK-LIKE INTERGRAL EQUATION FOR RANDOM SEQUENTIAL
1100	<	ADSORPTION},
1101	<	journal =      jcp,
1102	<	year =         1995,
1103	<	volume =       103,
1426	<	pages =        1607
1427	<	}
1097	>	@article{Dzugutov92,
1098	>	Author = {M. Dzugutov},
1099	>	Journal = pra,
1100	>	Pages = {R2984-R2987},
1101	>	Title = {Glass formation in a simple monatomic liquid with icosahedral inherent local order},
1102	>	Volume = 46,
1103	>	Year = 1992}
1104
1105	<	@Article{Viot1992c,
1106	<	author =       {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1107	<	title =        {SATURATION COVERAGE OF HIGHLY ELONGATED ANISOTROPIC
1108	<	PARTICLES},
1109	<	journal =      {Physica A},
1110	<	year =         1992,
1111	<	volume =       191,
1436	<	pages =        {248-252}
1437	<	}
1105	>	@article{Moore94,
1106	>	Author = {P. Moore and T. Keyes},
1107	>	Journal = jcp,
1108	>	Pages = 6709,
1109	>	Title = {Normal Mode Analysis of Liquid $\mbox{CS}_2$: Velocity Correlation Functions and Self-Diffusion Constants},
1110	>	Volume = 100,
1111	>	Year = 1994}
1112
1113	<	@Article{Ricci1994,
1114	<	author =       {S.~M. Ricci and J. Talbot and G. Tarjus and P. Viot},
1115	<	title =        {A STRUCTURAL COMPARISON OF RANDOM SEQUENTIAL ADSORPTION AND
1116	<	EQUILIBRIUM CONFIGURATIONS OF SPHEROCYLINDERS},
1117	<	journal =      jcp,
1118	<	year =         1994,
1119	<	volume =       101,
1446	<	pages =        9164
1447	<	}
1113	>	@article{Seeley89,
1114	>	Author = {G. Seeley and T. Keyes},
1115	>	Journal = jcp,
1116	>	Pages = {5581-5586},
1117	>	Title = {Normal-mode analysis of liquid-state dynamics},
1118	>	Volume = 91,
1119	>	Year = 1989}
1120
1121	<	@Article{Semmler1998,
1122	<	author =       {M. Semmler and E.~K. Mann and J. Ricka and M. Borkovec},
1123	<	title =        {Diffusional Deposition of Charged Latex Particles on
1124	<	Water-Solid Interfaces at Low Ionic Strength},
1125	<	journal =      {Langmuir},
1126	<	year =         1998,
1127	<	volume =       14,
1456	<	pages =        {5127-5132}
1457	<	}
1121	>	@article{Madan90,
1122	>	Author = {B. Madan and T. Keyes and G. Seeley},
1123	>	Journal = jcp,
1124	>	Pages = {7565-7569},
1125	>	Title = {Diffusion in supercooled liquids via normal mode analysis},
1126	>	Volume = 92,
1127	>	Year = 1990}
1128
1129	<	@Article{Solomon1986,
1130	<	author =       {H. Solomon and H. Weiner},
1131	<	title =        {A REVIEW OF THE PACKING PROBLEM},
1132	<	journal =      {Comm. Statistics A},
1133	<	year =         1986,
1134	<	volume =       15,
1135	<	pages =        {2571-2607}
1466	<	}
1129	>	@article{Madan91,
1130	>	Author = {B. Madan and T. Keyes and G. Seeley},
1131	>	Journal = jcp,
1132	>	Pages = {6762-6769},
1133	>	Title = {Normal mode analysis of the velocity correlation function in supercooled liquids},
1134	>	Volume = 94,
1135	>	Year = 1991}
1136
1137	<	@Article{Bonnier1993,
1138	<	author =       {B. Bonnier and M. Hontebeyrie and C. Meyers},
1139	<	title =        {ON THE RANDOM FILLING OF R(D) BY NONOVERLAPPING
1140	<	D-DIMENSIONAL CUBES},
1141	<	journal =      {Physica A},
1142	<	year =         1993,
1143	<	volume =       198,
1475	<	pages =        {1-10}
1476	<	}
1137	>	@article{Buchner92,
1138	>	Author = {M. Buchner, B.~M. Ladanyi and R.~M. Stratt},
1139	>	Journal = jcp,
1140	>	Pages = {8522-8535},
1141	>	Title = {The short-time dynamics of molecular liquids. Instantaneous-normal-mode theory},
1142	>	Volume = 97,
1143	>	Year = 1992}
1144
1145	<	@Book{Frenkel1996,
1146	<	author =       {D. Frenkel and B. Smit},
1147	<	title =        {Understanding Molecular Simulation : From Algorithms
1148	<	to Applications},
1149	<	publisher =    {Academic Press},
1150	<	year =         1996,
1151	<	address =      {New York}
1145	>	@article{Wan94,
1146	>	Author = {Yi. Wan and R.~M. Stratt},
1147	>	Journal = jcp,
1148	>	Pages = {5123-5138},
1149	>	Title = {Liquid theory for the instantaneous normal modes of a liquid},
1150	>	Volume = 100,
1151	>	Year = 1994}
1152
1153	<
1154	<	}
1153	>	@article{Stratt95,
1154	>	Author = {R.~M. Stratt},
1155	>	Journal = {Acc. Chem. Res.},
1156	>	Pages = {201-207},
1157	>	Title = {The instantaneous normal modes of liquids},
1158	>	Volume = 28,
1159	>	Year = 1995}
1160
1161	<	@Article{Dullweber1997,
1162	<	author =       {A. Dullweber and B. Leimkuhler and R. McLachlan},
1163	<	title =        {Symplectic splitting methods for rigid body molecular
1164	<	dynamics},
1165	<	journal =      jcp,
1166	<	year =         1997,
1167	<	volume =       107,
1496	<	number =       15,
1497	<	pages =        {5840-5851}
1498	<	}
1161	>	@article{Nitzan95,
1162	>	Author = {G.~V. Vijayadamodar and A. Nitzan},
1163	>	Journal = jcp,
1164	>	Pages = {2169-2177},
1165	>	Title = {On the application of instantaneous normal mode analysis to long time dynamics of liquids},
1166	>	Volume = 103,
1167	>	Year = 1995}
1168
1169	<	@Article{Siepmann1998,
1170	<	author =       {M. Martin and J.~I. Siepmann},
1171	<	title =        {Transferable Potentials for Phase Equilibria. 1. United-Atom
1172	<	Description of n-Alkanes},
1173	<	journal =      jpcB,
1174	<	year =         1998,
1175	<	volume =       102,
1507	<	pages =        {2569-2577}
1508	<	}
1169	>	@article{Ribeiro98,
1170	>	Author = {M.~C.~C. Ribeiro and P.~A. Madden},
1171	>	Journal = jcp,
1172	>	Pages = {3256-3263},
1173	>	Title = {Unstable Modes in Ionic Melts},
1174	>	Volume = 108,
1175	>	Year = 1998}
1176
1177	<	@Article{Marrink01,
1178	<	author =       {S.~J. Marrink and E. Lindahl and O. Edholm and A.~E. Mark},
1179	<	title =        {Simulations of the Spontaneous Aggregation of Phospholipids
1180	<	into Bilayers},
1181	<	journal =      jacs,
1182	<	year =         2001,
1183	<	volume =       123,
1184	<	pages =        {8638-8639}
1518	<	}
1177	>	@article{Keyes98,
1178	>	Author = {T. Keyes and W.-X. Li and U.~Z{\"{u}}rcher},
1179	>	Date-Modified = {2006-02-15 10:22:13 -0500},
1180	>	Journal = jcp,
1181	>	Pages = {4693-4694},
1182	>	Title = {Comment on a critique of the instantaneous normal mode (INM) approach to diffusion (J. Chem. Phys. {\bf 107}, 4618 (1997))},
1183	>	Volume = 109,
1184	>	Year = 1998}
1185
1186	<	@Article{Liu96,
1187	<	author =       {Y. Liu and T. Ichiye},
1188	<	title =        {Soft sticky dipole potential for liquid water: a new model},
1189	<	journal =      jpc,
1190	<	year =         1996,
1191	<	volume =       100,
1192	<	pages =        {2723-2730}
1527	<	}
1186	>	@article{Alemany98,
1187	>	Author = {M.~M.~G. Alemany and C. Rey and L.~J. Gallego},
1188	>	Journal = jcp,
1189	>	Pages = {5175-5176},
1190	>	Title = {Transport coefficients of liquid transition metals: A computer simulation study using the embedded atom model},
1191	>	Volume = 109,
1192	>	Year = 1998}
1193
1194	<	@Article{liu96:monte_carlo,
1195	<	author =       {Y. Liu and T. Ichiye},
1196	<	title =        {The static dielectric constant of the soft sticky dipole model of liquid water: $\mbox{Monte Carlo}$ simulation},
1197	<	journal =      {Chemical Physics Letters},
1198	<	year =         1996,
1199	<	volume =       256,
1200	<	pages =        {334-340}
1536	<	}
1194	>	@article{Belonoshko00,
1195	>	Author = {A.~B. Belonoshko and R. Ahuja and O. Eriksson and B. Johansson},
1196	>	Journal = prb,
1197	>	Pages = {3838-3844},
1198	>	Title = {Quasi ab initio molecular dynamic study of Cu melting},
1199	>	Volume = 61,
1200	>	Year = 2000}
1201
1202	<	@Article{chandra99:ssd_md,
1203	<	author =       {A. Chandra and T. Ichiye},
1204	<	title =        {Dynamical properties of the soft sticky dipole model of water: Molecular dynamics simulation},
1205	<	journal =      {Journal of Chemical Physics},
1206	<	year =         1999,
1207	<	volume =       111,
1208	<	number =       6,
1545	<	pages =        {2701-2709}
1546	<	}
1202	>	@article{Banhart92,
1203	>	Author = {J. Banhart and H. Ebert and R. Kuentzler and J. Voitl\"{a}nder},
1204	>	Journal = prb,
1205	>	Pages = {9968-9975},
1206	>	Title = {Electronic properties of single-phased metastable Ag-Cu alloys},
1207	>	Volume = 46,
1208	>	Year = 1992}
1209
1210	<	@Book{allen87:csl,
1211	<	author =       {M.~P. Allen and D.~J. Tildesley},
1212	<	title =        {Computer Simulations of Liquids},
1213	<	publisher =    {Oxford University Press},
1214	<	year =         1987,
1215	<	address =      {New York}
1554	<	}
1210	>	@article{Wendt78,
1211	>	Author = {H. Wendt and F.~F. Abraham},
1212	>	Journal = prl,
1213	>	Pages = 1244,
1214	>	Volume = 41,
1215	>	Year = 1978}
1216
1217	<	@Book{leach01:mm,
1218	<	author =       {A. Leach},
1219	<	title =        {Molecular Modeling: Principles and Applications},
1220	<	publisher =    {Pearson Educated Limited},
1221	<	year =         2001,
1222	<	address =      {Harlow, England},
1223	<	edition =      {2nd}
1563	<	}
1217	>	@article{Lewis91,
1218	>	Author = {L.~J. Lewis},
1219	>	Journal = prb,
1220	>	Pages = {4245-4254},
1221	>	Title = {Atomic dynamics through the glass transition},
1222	>	Volume = 44,
1223	>	Year = 1991}
1224
1225	+	@article{Liu92,
1226	+	Author = {R.~S. Liu and D.~W. Qi and S. Wang},
1227	+	Journal = prb,
1228	+	Pages = {451-453},
1229	+	Title = {Subpeaks of structure factors for rapidly quenched metals},
1230	+	Volume = 45,
1231	+	Year = 1992}
1232
1233	<	@Article{katsaras00,
1234	<	author =       {J. Katsaras and S. Tristram-Nagle and Y. Liu and R.~L. Headrick and E. Fontes and P.~C. Mason and J.~F. Nagle},
1235	<	title =        {Clarification of the ripple phase of lecithin bilayers using fully hydrated, aligned samples},
1236	<	journal =      {Physical Review E},
1237	<	year =         2000,
1238	<	volume =       61,
1239	<	number =       5,
1573	<	pages =        {5668-5677}
1574	<	}
1233	>	@article{Anheuser94,
1234	>	Author = {K. Anheuser and J.P. Northover},
1235	>	Journal = {Brit. Num. J.},
1236	>	Pages = 22,
1237	>	Title = {Silver plating of Roman and Celtic coins from Britan - a technical study},
1238	>	Volume = 64,
1239	>	Year = 1994}
1240
1241	<	@Article{sengupta00,
1242	<	author =       {K. Sengupta and V.~A. Raghunathan and J. Katsaras},
1243	<	title =        {Novel structural Features of the ripple phase of phospholipids},
1244	<	journal =      {Europhysics Letters},
1245	<	year =         2000,
1246	<	volume =       49,
1247	<	number =       6,
1583	<	pages =        {722-728}
1584	<	}
1241	>	@article{Pense92,
1242	>	Author = {A. W. Pense},
1243	>	Journal = {Mat. Char.},
1244	>	Pages = 213,
1245	>	Title = {The Decline and Fall of the Roman Denarius},
1246	>	Volume = 29,
1247	>	Year = 1992}
1248
1249	<	@Article{venable00,
1250	<	author =       {R.~M. Venable and B.~R. Brooks and R.~W. Pastor},
1251	<	title =        {Molecular dynamics simulations of gel ($L_{\beta I}$) phase lipid bilayers in constant pressure and constant surface area ensembles},
1252	<	journal =      jcp,
1253	<	year =         2000,
1254	<	volume =       112,
1255	<	number =       10,
1593	<	pages =        {4822-4832}
1594	<	}
1249	>	@article{Ngai81,
1250	>	Author = {K.~L. Ngai and F.-S. Liu},
1251	>	Journal = prb,
1252	>	Pages = {1049-1065},
1253	>	Title = {Dispersive diffusion transport and noise, time-dependent diffusion coefficient, generalized Einstein-Nernst relation, and dispersive diffusion-controlled unimolecular and bimolecular reactions},
1254	>	Volume = 24,
1255	>	Year = 1981}
1256
1257	<	@Article{lindahl00,
1258	<	author =       {E. Lindahl and O. Edholm},
1259	<	title =        {Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations},
1260	<	journal =      {Biophysical Journal},
1261	<	year =         2000,
1601	<	volume =       79,
1602	<	pages =        {426-433},
1603	<	month =        {July}
1604	<	}
1257	>	@unpublished{Truhlar00,
1258	>	Author = {D.~G. Truhlar and A. Kohen},
1259	>	Date-Modified = {2006-02-15 16:35:52 -0500},
1260	>	Note = {private correspondence},
1261	>	Year = {2000}}
1262
1263	+	@article{Truhlar78,
1264	+	Author = {Donald G. Truhlar},
1265	+	Journal = {J. Chem. Ed.},
1266	+	Pages = 309,
1267	+	Title = {Interpretation of the Activation Energy},
1268	+	Volume = 55,
1269	+	Year = 1978}
1270
1271	<	@Article{saiz02,
1272	<	author =       {L. Saiz and M. Klein},
1273	<	title =        {Electrostatic interactions in a neutral model phospholipid bilayer by molecular dynamics simulations},
1274	<	journal =      jcp,
1275	<	year =         2002,
1276	<	volume =       116,
1277	<	number =       7,
1614	<	pages =        {3052-3057}
1615	<	}
1271	>	@book{Tolman27,
1272	>	Address = {New York},
1273	>	Author = {R. C. Tolman},
1274	>	Pages = {260-270},
1275	>	Publisher = {Chemical Catalog Co.},
1276	>	Title = {Statistical Mechanics with Applications to Physics and Chemistry},
1277	>	Year = 1927}
1278
1279	<	@Article{stevens95,
1280	<	author =       {M.~J. Stevens and G.~S. Grest},
1281	<	title =        {Phase coexistence of a Stockmayer fluid in an aplied field},
1282	<	journal =      {Physical Review E},
1283	<	year =         1995,
1284	<	volume =       51,
1285	<	number =       6,
1624	<	pages =        {5976-5983}
1625	<	}
1279	>	@article{Tolman20,
1280	>	Author = {R. C. Tolman},
1281	>	Journal = jacs,
1282	>	Pages = 2506,
1283	>	Title = {Statistical Mechanics Applied to Chemical Kinetics},
1284	>	Volume = 42,
1285	>	Year = 1920}
1286
1287	<	@Article{darden93:pme,
1288	<	author =       {T. Darden and D. York and L. Pedersen},
1289	<	title =        {Particle mesh Ewald: An $N \log N$ method for Ewald sums in large systems},
1290	<	journal =      {Journal of Chemical Physics},
1291	<	year =         1993,
1292	<	volume =       98,
1293	<	number =       12,
1294	<	pages =        {10089-10092}
1295	<	}
1287	>	@article{Ediger96,
1288	>	Author = {M.D. Ediger and C.A. Angell and Sidney R. Nagel},
1289	>	Date-Modified = {2006-02-15 10:16:35 -0500},
1290	>	Journal = jpc,
1291	>	Pages = 13200,
1292	>	Title = {Supercooled Liquids and Glasses},
1293	>	Volume = 100,
1294	>	Year = 1996}
1295	>
1296	>	@inbook{Blumen86,
1297	>	Address = {Amsterdam},
1298	>	Author = {A. Blumen and J. Klafter and G. Zumofen},
1299	>	Chapter = {Reactions in Disordered Media Modelled by Fractals},
1300	>	Editor = {Luciano Peitronero and E. Tosatti},
1301	>	Pages = 399,
1302	>	Publisher = {North-Holland},
1303	>	Series = {International Symposium on Fractals in Physics},
1304	>	Title = {Fractals in Physics},
1305	>	Year = 1986}
1306
1307	+	@article{Shlesinger84,
1308	+	Author = {M.~F. Shlesinger and E.~W. Montroll},
1309	+	Journal = {Proc. Natl. Acad. Sci. USA},
1310	+	Pages = {1280-1283},
1311	+	Title = {On the Williams-Watts function of dielectric relaxation},
1312	+	Volume = 81,
1313	+	Year = 1984}
1314
1315	+	@article{Klafter86,
1316	+	Author = {J. Klafter and M.~F. Shlesinger},
1317	+	Journal = {Proc. Natl. Acad. Sci. USA},
1318	+	Pages = {848-851},
1319	+	Title = {On the relationship among three theories of relaxation in disordered systems},
1320	+	Volume = 83,
1321	+	Year = 1986}
1322
1323	<	@Article{goetz98,
1324	<	author =       {R. Goetz and R. Lipowsky},
1325	<	title =        {Computer simulations of bilayer membranes: Self-assembly and interfacial tension},
1326	<	journal =      {Journal of Chemical Physics},
1327	<	year =         1998,
1328	<	volume =       108,
1329	<	number =       17,
1330	<	pages =        7397
1647	<	}
1323	>	@article{Li01,
1324	>	Author = {Z. Li and M. Lieberman and W. Hill},
1325	>	Date-Modified = {2006-02-15 10:25:36 -0500},
1326	>	Journal = {Langmuir},
1327	>	Pages = {4887-4894},
1328	>	Title = {{\sc xps} and {\sc sers} Study of Silicon Phthalocyanine Monolayers: umbrella vs. octopus design strategies for formation of oriented {\sc sam}s},
1329	>	Volume = 17,
1330	>	Year = 2001}
1331
1332	<	@Article{marrink01:undulation,
1333	<	author =       {S.~J. Marrink and A.~E. Mark},
1334	<	title =        {Effect of undulations on surface tension in simulated bilayers},
1335	<	journal =      {Journal of Physical Chemistry B},
1336	<	year =         2001,
1337	<	volume =       105,
1338	<	pages =        {6122-6127}
1339	<	}
1332	>	@article{Evans93,
1333	>	Author = {J.~W. Evans},
1334	>	Date-Modified = {2006-02-15 10:17:03 -0500},
1335	>	Journal = rmp,
1336	>	Pages = {1281-1329},
1337	>	Title = {Random and Cooperative Sequential Adsorption},
1338	>	Volume = 65,
1339	>	Year = 1993}
1340
1341	<	@Article{lindahl00:undulation,
1342	<	author =       {E. Lindahl and O. Edholm},
1343	<	title =        {Mesoscopic undulation and thickness fluctuations in lipid bilayers from molecular dynamics simulation},
1344	<	journal =      {Biophysical Journal},
1345	<	year =         2000,
1346	<	volume =       79,
1664	<	pages =        {426-433}
1665	<	}
1341	>	@article{Dwyer1977,
1342	>	Author = {D.~J. Dwyer and G.~W. Simmons and R.~P. Wei},
1343	>	Journal = {Surf. Sci.},
1344	>	Pages = 617,
1345	>	Volume = 64,
1346	>	Year = 1977}
1347
1348	<	@Article{metropolis:1949,
1349	<	author =       {N. Metropolis and S. Ulam},
1350	<	title =        {The $\mbox{Monte Carlo}$ Method},
1351	<	journal =      {J. Am. Stat. Ass.},
1352	<	year =         1949,
1353	<	volume =       44,
1354	<	pages =        {335-341}
1674	<	}
1348	>	@article{Macritche78,
1349	>	Author = {F. MacRitche},
1350	>	Date-Modified = {2006-02-15 10:27:37 -0500},
1351	>	Journal = {Adv. Protein Chem.},
1352	>	Pages = 283,
1353	>	Volume = 32,
1354	>	Year = 1978}
1355
1356	<	@Article{metropolis:1953,
1357	<	author =       {N. Metropolis and A.~W. Rosenbluth and M.~N. Rosenbluth and A.~H. Teller and E. Teller},
1358	<	title =        {Equation of State Calculations by Fast Computing Machines},
1359	<	journal =      {J. Chem. Phys.},
1360	<	year =         1953,
1361	<	volume =       21,
1362	<	pages =        {1087-1092}
1683	<	}
1356	>	@article{Feder80,
1357	>	Author = {J. Feder},
1358	>	Date-Modified = {2006-02-15 10:17:21 -0500},
1359	>	Journal = {J. Theor. Biol.},
1360	>	Pages = 237,
1361	>	Volume = 87,
1362	>	Year = 1980}
1363
1364	<	@Article{born:1912,
1365	<	author =       {M. Born and Th. Von~Karman},
1366	<	title =        {Uber Schwingungen in Raumgittern},
1367	<	journal =      {Physik Z.},
1368	<	year =         1912,
1369	<	volume =       13,
1370	<	number =       {297-309}
1692	<	}
1364	>	@article{Ramsden93,
1365	>	Author = {J.~J. Ramsden},
1366	>	Date-Modified = {2006-02-15 10:31:03 -0500},
1367	>	Journal = prl,
1368	>	Pages = 295,
1369	>	Volume = 71,
1370	>	Year = 1993}
1371
1372	<	@Book{chandler:1987,
1373	<	author =       {David Chandler},
1374	<	title =        {Introduction to Modern Statistical Mechanics},
1375	<	publisher =    {Oxford University Press},
1376	<	year =         1987
1377	<	}
1372	>	@article{Egelhoff89,
1373	>	Author = {W.~F. Egelhoff and I. Jacob},
1374	>	Date-Modified = {2006-02-15 10:16:54 -0500},
1375	>	Journal = prl,
1376	>	Pages = 921,
1377	>	Volume = 62,
1378	>	Year = 1989}
1379
1380	+	@article{Viot92a,
1381	+	Author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1382	+	Date-Modified = {2006-02-15 10:12:51 -0500},
1383	+	Journal = jpc,
1384	+	Pages = {5212-5218},
1385	+	Title = {RANDOM SEQUENTIAL ADSORPTION OF ANISOTROPIC PARTICLES 1. JAMMING LIMIT AND ASYMPTOTIC-BEHAVIOR},
1386	+	Volume = 97,
1387	+	Year = 1992}
1388
1389	<	@Article{pearlman:1995,
1390	<	author =       {David~A. Pearlman and David~A. Case and James~W. Caldwell and Wilson~S. Ross and Thomas~E. Cheatham~III and Steve DeBolt and David Ferguson and George Seibel and Peter Kollman},
1391	<	title =        {{\sc amber}, a package of computer programs for applying molecular mechanics. normal mode analysis, molecular dynamics, and free energy calculations to simulate the structural and energetic properties of molecules},
1392	<	journal =      {Computer Physics Communications},
1393	<	year =         1995,
1394	<	volume =       91,
1395	<	pages =        {1-41}
1396	<	}
1389	>	@article{Viot92b,
1390	>	Author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1391	>	Date-Modified = {2006-02-15 10:12:57 -0500},
1392	>	Journal = {Physica A},
1393	>	Pages = {248-252},
1394	>	Title = {SATURATION COVERAGE IN RANDOM SEQUENTIAL ADSORPTION OF VERY ELONGATED PARTICLES},
1395	>	Volume = 191,
1396	>	Year = 1992}
1397
1398	<	@Book{Goldstein01,
1399	<	author =       {H. Goldstein and C. Poole and J. Safko},
1400	<	title =        {Classical Mechanics},
1401	<	publisher =    {Addison Wesley},
1402	<	year =         2001,
1403	<	address =      {San Francisco},
1717	<	edition =      {3rd}
1718	<	}
1398	>	@article{Dobson1987,
1399	>	Author = {B.~W. Dobson},
1400	>	Journal = prb,
1401	>	Pages = 1068,
1402	>	Volume = 36,
1403	>	Year = 1987}
1404
1405	<	@Article{Bratko85,
1406	<	author =       {D. Bratko and L. Blum and A. Luzar},
1407	<	title =        {A simple model for the intermolecular potential of water},
1408	<	journal =      jcp,
1409	<	year =         1985,
1410	<	volume =       83,
1411	<	number =       12,
1412	<	pages =        {6367-6370}
1728	<	}
1405	>	@article{Boyer95,
1406	>	Author = {D. Boyer and P. Viot and G. Tarjus and J. Talbot},
1407	>	Date-Modified = {2006-02-15 10:15:52 -0500},
1408	>	Journal = jcp,
1409	>	Pages = 1607,
1410	>	Title = {PERCUS-$\mbox{Y}$EVICK-LIKE INTERGRAL EQUATION FOR RANDOM SEQUENTIAL ADSORPTION},
1411	>	Volume = 103,
1412	>	Year = 1995}
1413
1414	<	@Article{Bratko95,
1415	<	author =       {L. Blum and F. Vericat and D. Bratko},
1416	<	title =        {Towards an analytical model of water: The octupolar model},
1417	<	journal =      jcp,
1418	<	year =         1995,
1419	<	volume =       102,
1420	<	number =       3,
1421	<	pages =        {1461-1462}
1738	<	}
1414	>	@article{Viot92c,
1415	>	Author = {P. Viot and G. Tarjus and S.~M. Ricci and J. Talbot},
1416	>	Date-Modified = {2006-02-15 10:13:03 -0500},
1417	>	Journal = {Physica A},
1418	>	Pages = {248-252},
1419	>	Title = {SATURATION COVERAGE OF HIGHLY ELONGATED ANISOTROPIC PARTICLES},
1420	>	Volume = 191,
1421	>	Year = 1992}
1422
1423	<	@Article{Tan03,
1424	<	author =       {M.-L. Tan and J.~T. Fischer and A. Chandra and B.~R. Brooks
1425	<	and T. Ichiye},
1426	<	title =        {A temperature of maximum density in soft sticky dipole
1427	<	water},
1428	<	journal =      cpl,
1429	<	year =         2003,
1430	<	volume =       376,
1748	<	pages =        {646-652},
1749	<	}
1423	>	@article{Ricci94,
1424	>	Author = {S.~M. Ricci and J. Talbot and G. Tarjus and P. Viot},
1425	>	Date-Modified = {2006-02-15 10:31:32 -0500},
1426	>	Journal = jcp,
1427	>	Pages = 9164,
1428	>	Title = {A STRUCTURAL COMPARISON OF RANDOM SEQUENTIAL ADSORPTION AND EQUILIBRIUM CONFIGURATIONS OF SPHEROCYLINDERS},
1429	>	Volume = 101,
1430	>	Year = 1994}
1431
1432	+	@article{Semmler98,
1433	+	Author = {M. Semmler and E.~K. Mann and J. Ricka and M. Borkovec},
1434	+	Date-Modified = {2006-02-15 10:14:46 -0500},
1435	+	Journal = {Langmuir},
1436	+	Pages = {5127-5132},
1437	+	Title = {Diffusional Deposition of Charged Latex Particles on Water-Solid Interfaces at Low Ionic Strength},
1438	+	Volume = 14,
1439	+	Year = 1998}
1440
1441	<	@Article{Soper86,
1442	<	author =       {A.~K. Soper and M.~G. Phillips},
1443	<	title =        {A new determination of the structure of water at 298K},
1444	<	journal =      cp,
1445	<	year =         1986,
1446	<	volume =       107,
1447	<	number =       1,
1448	<	pages =        {47-60},
1760	<	}
1441	>	@article{Solomon86,
1442	>	Author = {H. Solomon and H. Weiner},
1443	>	Date-Modified = {2006-02-15 10:10:38 -0500},
1444	>	Journal = {Comm. Statistics A},
1445	>	Pages = {2571-2607},
1446	>	Title = {A REVIEW OF THE PACKING PROBLEM},
1447	>	Volume = 15,
1448	>	Year = 1986}
1449
1450	<	@Article{plimpton95,
1451	<	author =       {S. Plimpton},
1452	<	title =        {Fast Parallel Algorithms for Short-Range Molecular Dymanics},
1453	<	journal =      {J. Comp. Phys.},
1454	<	year =         1995,
1455	<	volume =       117,
1456	<	pages =        {1-19},
1457	<	}
1450	>	@article{Bonnier93,
1451	>	Author = {B. Bonnier and M. Hontebeyrie and C. Meyers},
1452	>	Date-Modified = {2006-02-15 10:08:35 -0500},
1453	>	Journal = {Physica A},
1454	>	Pages = {1-10},
1455	>	Title = {ON THE RANDOM FILLING OF R(D) BY NONOVERLAPPING D-DIMENSIONAL CUBES},
1456	>	Volume = 198,
1457	>	Year = 1993}
1458
1459	+	@book{Frenkel96,
1460	+	Address = {New York},
1461	+	Author = {D. Frenkel and B. Smit},
1462	+	Date-Modified = {2006-02-15 10:18:08 -0500},
1463	+	Publisher = {Academic Press},
1464	+	Title = {Understanding Molecular Simulation : From Algorithms to Applications},
1465	+	Year = 1996}
1466
1467	<	@Article{Ercolessi02,
1468	<	author =       {U. Tartaglino and E. Tosatti and D. Passerone and F. Ercolessi},
1469	<	title =        {Bending strain-driven modification of surface resconstructions: Au(111)},
1470	<	journal =      prb,
1471	<	year =         2002,
1472	<	volume =       65,
1473	<	pages =        241406
1474	<	}
1467	>	@article{Dullweber1997,
1468	>	Author = {A. Dullweber and B. Leimkuhler and R. McLachlan},
1469	>	Journal = jcp,
1470	>	Number = 15,
1471	>	Pages = {5840-5851},
1472	>	Title = {Symplectic splitting methods for rigid body molecular dynamics},
1473	>	Volume = 107,
1474	>	Year = 1997}
1475
1476	<	@Article{Ercolessi88,
1477	<	author =       {F. Ercolessi  and M. Parrinello  and E. Tosatti},
1478	<	title =        {Simulation of Gold in the Glue Model.},
1479	<	journal =      {Philosophical Magazine A},
1480	<	year =         1988,
1481	<	volume =       58,
1482	<	pages =        {213-226}
1483	<	}
1476	>	@article{Martin98,
1477	>	Author = {M. Martin and J.~I. Siepmann},
1478	>	Date-Modified = {2006-02-15 10:15:05 -0500},
1479	>	Journal = jpcB,
1480	>	Pages = {2569-2577},
1481	>	Title = {Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes},
1482	>	Volume = 102,
1483	>	Year = 1998}
1484
1485	<	@Article{Finnis84,
1486	<	author =       {M.~W Finnis and J.~E. Sinclair },
1487	<	title =        {A Simple Empirical N-Body Potential for Transition-Metals},
1488	<	journal =      {Phil. Mag. A},
1489	<	year =         1984,
1490	<	volume =       50,
1491	<	pages =        {45-55}
1492	<	}
1485	>	@article{Marrink01a,
1486	>	Author = {S.~J. Marrink and E. Lindahl and O. Edholm and A.~E. Mark},
1487	>	Date-Modified = {2006-02-15 10:28:09 -0500},
1488	>	Journal = jacs,
1489	>	Pages = {8638-8639},
1490	>	Title = {Simulations of the Spontaneous Aggregation of Phospholipids into Bilayers},
1491	>	Volume = 123,
1492	>	Year = 2001}
1493
1494	<	@Article{FBD86,
1495	<	author =       {S.~M. Foiles and M.~I. Baskes and M.~S. Daw},
1496	<	title =        {Embedded-atom-method functions for the fcc metals
1497	<	$\mbox{Cu, Ag, Au, Ni, Pd, Pt}$, and their alloys},
1498	<	journal =      prb,
1499	<	year =         1986,
1500	<	volume =       33,
1501	<	number =       12,
1807	<	pages =        7983
1808	<	}
1494	>	@article{Liu96b,
1495	>	Author = {Y. Liu and T. Ichiye},
1496	>	Date-Modified = {2006-02-15 10:27:07 -0500},
1497	>	Journal = jpc,
1498	>	Pages = {2723-2730},
1499	>	Title = {Soft sticky dipole potential for liquid water: a new model},
1500	>	Volume = 100,
1501	>	Year = 1996}
1502
1503	<	@Article{EAM93,
1504	<	author =       {M.~S. Daw and S.~M. Foiles and M.~I. Baskes},
1505	<	title =        {The embededd-atom method},
1506	<	journal =      {Mat. Sci. Rep.},
1507	<	year =         1993,
1508	<	volume =       9,
1509	<	pages =        {251-310}
1510	<	}
1503	>	@article{Liu96a,
1504	>	Author = {Y. Liu and T. Ichiye},
1505	>	Date-Modified = {2006-02-15 10:27:01 -0500},
1506	>	Journal = {Chemical Physics Letters},
1507	>	Pages = {334-340},
1508	>	Title = {The static dielectric constant of the soft sticky dipole model of liquid water: $\mbox{Monte Carlo}$ simulation},
1509	>	Volume = 256,
1510	>	Year = 1996}
1511
1512	<	@Article{johnson89,
1513	<	author =       {R.~A. Johnson},
1514	<	title =        {Alloy models with the embedded-atom method},
1515	<	journal =      prb,
1516	<	year =         1989,
1517	<	volume =       39,
1518	<	number =       17,
1519	<	pages =        12554
1520	<	}
1512	>	@article{Chandra99,
1513	>	Author = {A. Chandra and T. Ichiye},
1514	>	Date-Modified = {2006-02-15 10:09:36 -0500},
1515	>	Journal = {Journal of Chemical Physics},
1516	>	Number = 6,
1517	>	Pages = {2701-2709},
1518	>	Title = {Dynamical properties of the soft sticky dipole model of water: Molecular dynamics simulation},
1519	>	Volume = 111,
1520	>	Year = 1999}
1521
1522	<	@Article{Laird97,
1523	<	author =       {A. Kol and B.~B. Laird and B.~J. Leimkuhler},
1524	<	title =        {A symplectic method for rigid-body molecular simulation},
1525	<	journal =      jcp,
1526	<	year =         1997,
1527	<	volume =       107,
1528	<	number =       7,
1836	<	pages =        {2580-2588}
1837	<	}
1522	>	@book{Allen87,
1523	>	Address = {New York},
1524	>	Author = {M.~P. Allen and D.~J. Tildesley},
1525	>	Date-Modified = {2006-02-15 10:08:08 -0500},
1526	>	Publisher = {Oxford University Press},
1527	>	Title = {Computer Simulations of Liquids},
1528	>	Year = 1987}
1529
1530	+	@book{Leach01,
1531	+	Address = {Harlow, England},
1532	+	Author = {A.~R. Leach},
1533	+	Date-Modified = {2006-02-15 10:25:19 -0500},
1534	+	Edition = {2nd},
1535	+	Publisher = {Pearson Educated Limited},
1536	+	Title = {Molecular Modeling: Principles and Applications},
1537	+	Year = 2001}
1538
1539	<	@Article{hoover85,
1540	<	author =       {W.~G. Hoover},
1541	<	title =        {Canonical dynamics: Equilibrium phase-space distributions},
1542	<	journal =      pra,
1543	<	year =         1985,
1544	<	volume =       31,
1545	<	pages =        1695
1546	<	}
1539	>	@article{Katsaras00,
1540	>	Author = {J. Katsaras and S. Tristram-Nagle and Y. Liu and R.~L. Headrick and E. Fontes and P.~C. Mason and J.~F. Nagle},
1541	>	Date-Modified = {2006-02-15 10:21:52 -0500},
1542	>	Journal = {Physical Review E},
1543	>	Number = 5,
1544	>	Pages = {5668-5677},
1545	>	Title = {Clarification of the ripple phase of lecithin bilayers using fully hydrated, aligned samples},
1546	>	Volume = 61,
1547	>	Year = 2000}
1548
1549	<	@Article{Roux91,
1550	<	author =       {B. Roux and M. Karplus},
1551	<	title =        {Ion transport in a Gramicidin-like channel: dynamics and mobility},
1552	<	journal =      jpc,
1553	<	year =         1991,
1554	<	volume =       95,
1555	<	number =       15,
1556	<	pages =        {4856-4868}
1557	<	}
1549	>	@article{Sengupta00,
1550	>	Author = {K. Sengupta and V.~A. Raghunathan and J. Katsaras},
1551	>	Date-Modified = {2006-02-15 10:32:00 -0500},
1552	>	Journal = {Europhysics Letters},
1553	>	Number = 6,
1554	>	Pages = {722-728},
1555	>	Title = {Novel structural Features of the ripple phase of phospholipids},
1556	>	Volume = 49,
1557	>	Year = 2000}
1558
1559	+	@article{Venable00,
1560	+	Author = {R.~M. Venable and B.~R. Brooks and R.~W. Pastor},
1561	+	Date-Modified = {2006-02-15 10:11:19 -0500},
1562	+	Journal = jcp,
1563	+	Number = 10,
1564	+	Pages = {4822-4832},
1565	+	Title = {Molecular dynamics simulations of gel ($L_{\beta I}$) phase lipid bilayers in constant pressure and constant surface area ensembles},
1566	+	Volume = 112,
1567	+	Year = 2000}
1568
1569	<	@Article{Marrink94,
1570	<	author =       {S.~J Marrink and H.~J.~C. Berendsen},
1571	<	title =        {Simulation of water transport through a lipid membrane},
1572	<	journal =      jpc,
1573	<	year =         1994,
1574	<	volume =       98,
1575	<	number =       15,
1576	<	pages =        {4155-4168}
1577	<	}
1569	>	@article{Lindahl00,
1570	>	Author = {E. Lindahl and O. Edholm},
1571	>	Date-Modified = {2006-02-15 10:26:05 -0500},
1572	>	Journal = {Biophysical Journal},
1573	>	Month = {July},
1574	>	Pages = {426-433},
1575	>	Title = {Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations},
1576	>	Volume = 79,
1577	>	Year = 2000}
1578
1579	+	@article{Saiz02,
1580	+	Author = {L. Saiz and M. Klein},
1581	+	Date-Modified = {2006-02-15 10:31:50 -0500},
1582	+	Journal = jcp,
1583	+	Number = 7,
1584	+	Pages = {3052-3057},
1585	+	Title = {Electrostatic interactions in a neutral model phospholipid bilayer by molecular dynamics simulations},
1586	+	Volume = 116,
1587	+	Year = 2002}
1588
1589	<	@Article{Daw89,
1590	<	author =       {Murray~S. Daw},
1591	<	title =        {Model of metallic cohesion: The embedded-atom method},
1592	<	journal =      {Physical Review B},
1593	<	year =         1989,
1594	<	volume =       39,
1595	<	pages =        {7441-7452}
1596	<	}
1589	>	@article{Stevens95,
1590	>	Author = {M.~J. Stevens and G.~S. Grest},
1591	>	Date-Modified = {2006-02-15 10:10:47 -0500},
1592	>	Journal = {Physical Review E},
1593	>	Number = 6,
1594	>	Pages = {5976-5983},
1595	>	Title = {Phase coexistence of a Stockmayer fluid in an aplied field},
1596	>	Volume = 51,
1597	>	Year = 1995}
1598
1599	<	@InBook{voter,
1600	<	author =       {A.~F. Voter},
1601	<	editor =       {J.~H. Westbrook and R.~L. Fleischer},
1602	<	title =        {Intermetallic Compounds: Principles and Practice},
1603	<	chapter =      4,
1604	<	publisher =    {John Wiley and Sons Ltd},
1605	<	address   =    {},
1606	<	year =         1995,
1607	<	volume =       1,
1608	<	pages =        77
1890	<	}
1599	>	@article{Darden93,
1600	>	Author = {T. Darden and D. York and L. Pedersen},
1601	>	Date-Modified = {2006-03-16 08:37:25 -0500},
1602	>	Journal = {Journal of Chemical Physics},
1603	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Darden_ParticleMeshEwald_93.pdf},
1604	>	Number = 12,
1605	>	Pages = {10089-10092},
1606	>	Title = {Particle mesh Ewald: An $N \log N$ method for Ewald sums in large systems},
1607	>	Volume = 98,
1608	>	Year = 1993}
1609
1610	+	@article{Goetz98,
1611	+	Author = {R. Goetz and R. Lipowsky},
1612	+	Date-Modified = {2006-02-15 10:18:26 -0500},
1613	+	Journal = {Journal of Chemical Physics},
1614	+	Number = 17,
1615	+	Pages = 7397,
1616	+	Title = {Computer simulations of bilayer membranes: Self-assembly and interfacial tension},
1617	+	Volume = 108,
1618	+	Year = 1998}
1619
1620	<	@Article{marrink:2002,
1621	<	author =       {S.~J. Marrink and D.~P. Teileman},
1622	<	title =        {Molecular Dynamics Simulation of Spontaneous Membrane Fusion during a Cubic-Hexagonal Phase Transition},
1623	<	journal =      {Biophysical Journal},
1624	<	year =         2002,
1625	<	volume =       83,
1626	<	pages =        {2386-2392}
1627	<	}
1620	>	@article{Marrink01b,
1621	>	Author = {S.~J. Marrink and A.~E. Mark},
1622	>	Date-Modified = {2006-02-15 10:28:01 -0500},
1623	>	Journal = {Journal of Physical Chemistry B},
1624	>	Pages = {6122-6127},
1625	>	Title = {Effect of undulations on surface tension in simulated bilayers},
1626	>	Volume = 105,
1627	>	Year = 2001}
1628
1629	<	@Article{sum:2003,
1630	<	author =       {A.~K. Sum and J.~J. de~Pablo},
1631	<	title =        {Molecular Simulation Study on the influence of Dimethylsulfoxide on the structure of Phospholipid Bilayers},
1632	<	journal =      {Biophysical Journal},
1633	<	year =         2003,
1634	<	volume =       85,
1635	<	pages =        {3636-3645}
1636	<	}
1629	>	@article{Metropolis49,
1630	>	Author = {N. Metropolis and S. Ulam},
1631	>	Date-Modified = {2006-02-15 10:29:03 -0500},
1632	>	Journal = {J. Am. Stat. Ass.},
1633	>	Pages = {335-341},
1634	>	Title = {The $\mbox{Monte Carlo}$ Method},
1635	>	Volume = 44,
1636	>	Year = 1949}
1637
1638	<	@Article{gomez:2003,
1639	<	author =       {J.~D. Faraldo-Gomez and G.~R. Smith and M.~S.P. Sansom},
1640	<	title =        {Setting up and optimization of membrane protein simulations},
1641	<	journal =      {Eur. Biophys. J.},
1642	<	year =         2002,
1643	<	volume =       31,
1644	<	pages =        {217-227}
1645	<	}
1638	>	@article{Metropolis53,
1639	>	Author = {N. Metropolis and A.~W. Rosenbluth and M.~N. Rosenbluth and A.~H. Teller and E. Teller},
1640	>	Date-Modified = {2006-03-09 10:44:24 -0500},
1641	>	Journal = {J. Chem. Phys.},
1642	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Metropolis_MCCalculations_53.pdf},
1643	>	Pages = {1087-1092},
1644	>	Title = {Equation of State Calculations by Fast Computing Machines},
1645	>	Volume = 21,
1646	>	Year = 1953}
1647
1648	+	@article{Born12,
1649	+	Author = {M. Born and Th. Von~Karman},
1650	+	Date-Modified = {2006-02-15 10:08:50 -0500},
1651	+	Journal = {Physik Z.},
1652	+	Number = {297-309},
1653	+	Title = {Uber Schwingungen in Raumgittern},
1654	+	Volume = 13,
1655	+	Year = 1912}
1656
1657	<	@Article{smondyrev:1999,
1658	<	author =       {A.~M. Smondyrev and M.~L. Berkowitz},
1659	<	title =        {Molecular Dynamics Simulation of {\sc dppc} Bilayer in {\sc dmso}},
1660	<	journal =      {Biophysical Journal},
1661	<	year =         1999,
1662	<	volume =       76,
1927	<	pages =        {2472-2478}
1928	<	}
1657	>	@book{Chandler87,
1658	>	Author = {David Chandler},
1659	>	Date-Modified = {2006-02-15 10:09:20 -0500},
1660	>	Publisher = {Oxford University Press},
1661	>	Title = {Introduction to Modern Statistical Mechanics},
1662	>	Year = 1987}
1663
1664	<	@Article{nina:2002,
1665	<	author =       {M. Nina and T. Simonson},
1666	<	title =        {Molecular Dynamics of the $\text{tRNA}^{\text{Ala}}$ Acceptor Stem: Comparison between Continuum Reaction Field and Particle-Mesh Ewald Electrostatic Treatments},
1667	<	journal =      {J. Phys. Chem. B},
1668	<	year =         2002,
1669	<	volume =       106,
1670	<	pages =        {3696-3705}
1671	<	}
1664	>	@article{Pearlman95,
1665	>	Author = {David~A. Pearlman and David~A. Case and James~W. Caldwell and Wilson~S. Ross and Thomas~E. Cheatham~III and Steve DeBolt and David Ferguson and George Seibel and Peter Kollman},
1666	>	Date-Modified = {2006-02-15 10:30:13 -0500},
1667	>	Journal = {Computer Physics Communications},
1668	>	Pages = {1-41},
1669	>	Title = {{\sc amber}, a package of computer programs for applying molecular mechanics. normal mode analysis, molecular dynamics, and free energy calculations to simulate the structural and energetic properties of molecules},
1670	>	Volume = 91,
1671	>	Year = 1995}
1672
1673	<	@Article{norberg:2000,
1674	<	author =       {J. Norberg and L. Nilsson},
1675	<	title =        {On the truncation of Long-Range Electrostatic Interactions in {\sc dna}},
1676	<	journal =      {Biophysical Journal},
1677	<	year =         2000,
1678	<	volume =       79,
1679	<	pages =        {1537-1553}
1946	<	}
1673	>	@book{Goldstein01,
1674	>	Address = {San Francisco},
1675	>	Author = {H. Goldstein and C. Poole and J. Safko},
1676	>	Edition = {3rd},
1677	>	Publisher = {Addison Wesley},
1678	>	Title = {Classical Mechanics},
1679	>	Year = 2001}
1680
1681	<	@Article{patra:2003,
1682	<	author =       {M. Patra and M. Karttunen and M.~T. Hyv\"{o}nen and E. Falk and P. Lindqvist and I. Vattulainen},
1683	<	title =        {Molecular Dynamics Simulations of Lipid Bilayers: Major Artifacts Due to Truncating Electrostatic Interactions},
1684	<	journal =      {Biophysical Journal},
1685	<	year =         2003,
1686	<	volume =       84,
1687	<	pages =        {3636-3645}
1688	<	}
1681	>	@article{Bratko85,
1682	>	Author = {D. Bratko and L. Blum and A. Luzar},
1683	>	Journal = jcp,
1684	>	Number = 12,
1685	>	Pages = {6367-6370},
1686	>	Title = {A simple model for the intermolecular potential of water},
1687	>	Volume = 83,
1688	>	Year = 1985}
1689
1690	<	@Article{marrink04,
1691	<	author =       {S.~J. Marrink and A.~H. de~Vries and A.~E. Mark},
1692	<	title =        {Coarse Grained Model for Semiquantitative Lipid Simulations},
1693	<	journal =      {J. Phys. Chem. B},
1694	<	year =         2004,
1695	<	volume =       108,
1696	<	pages =        {750-760}
1697	<	}
1690	>	@article{Bratko95,
1691	>	Author = {L. Blum and F. Vericat and D. Bratko},
1692	>	Journal = jcp,
1693	>	Number = 3,
1694	>	Pages = {1461-1462},
1695	>	Title = {Towards an analytical model of water: The octupolar model},
1696	>	Volume = 102,
1697	>	Year = 1995}
1698
1699	<	@Article{andersen83,
1700	<	author =       {H.~C. Andersen},
1701	<	title =        {{\sc rattle}: A Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations},
1702	<	journal =      {Journal of Computational Physics},
1703	<	year =         1983,
1704	<	volume =       52,
1705	<	pages =        {24-34}
1973	<	}
1699	>	@article{Tan03,
1700	>	Author = {M.-L. Tan and J.~T. Fischer and A. Chandra and B.~R. Brooks and T. Ichiye},
1701	>	Journal = cpl,
1702	>	Pages = {646-652},
1703	>	Title = {A temperature of maximum density in soft sticky dipole water},
1704	>	Volume = 376,
1705	>	Year = 2003}
1706
1707	<	@Article{hura00,
1708	<	author =       {G. Hura and J.~M. Sorenson and R.~M. Glaeser and T. Head-Gordon},
1709	<	title =        {A high-quality x-ray scattering experiment on liquid water at ambient conditions},
1710	<	journal =      {J. Chem. Phys.},
1711	<	year =         2000,
1712	<	volume =       113,
1713	<	pages =        {9140-9148}
1714	<	}
1707	>	@article{Soper86,
1708	>	Author = {A.~K. Soper and M.~G. Phillips},
1709	>	Journal = cp,
1710	>	Number = 1,
1711	>	Pages = {47-60},
1712	>	Title = {A new determination of the structure of water at 298K},
1713	>	Volume = 107,
1714	>	Year = 1986}
1715
1716	+	@article{Plimpton95,
1717	+	Author = {S. Plimpton},
1718	+	Date-Modified = {2006-02-15 10:30:31 -0500},
1719	+	Journal = {J. Comp. Phys.},
1720	+	Pages = {1-19},
1721	+	Title = {Fast Parallel Algorithms for Short-Range Molecular Dymanics},
1722	+	Volume = 117,
1723	+	Year = 1995}
1724
1725	<	@Article{ryckaert77,
1726	<	author =       {J.~P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen},
1727	<	title =        {Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes},
1728	<	journal =      {Journal of Computational Physics},
1729	<	year =         1977,
1730	<	volume =       23,
1731	<	pages =        {327-341}
1732	<	}
1725	>	@article{Tartaglino02,
1726	>	Author = {U. Tartaglino and E. Tosatti and D. Passerone and F. Ercolessi},
1727	>	Date-Modified = {2006-02-15 10:34:04 -0500},
1728	>	Journal = prb,
1729	>	Pages = 241406,
1730	>	Title = {Bending strain-driven modification of surface resconstructions: Au(111)},
1731	>	Volume = 65,
1732	>	Year = 2002}
1733
1734	+	@article{Ercolessi88,
1735	+	Author = {F. Ercolessi and M. Parrinello and E. Tosatti},
1736	+	Journal = {Philosophical Magazine A},
1737	+	Pages = {213-226},
1738	+	Title = {Simulation of Gold in the Glue Model.},
1739	+	Volume = 58,
1740	+	Year = 1988}
1741
1742	<	@InBook{fowles99:lagrange,
1743	<	author =       {G.~R. Fowles and G.~L. Cassiday},
1744	<	title =        {Analytical Mechanics},
1745	<	chapter =      10,
1746	<	publisher =    {Saunders College Publishing},
1747	<	address =      {},
1748	<	year =         1999,
2002	<	edition =      {6th}
2003	<	}
1742	>	@article{Finnis84,
1743	>	Author = {M.~W Finnis and J.~E. Sinclair},
1744	>	Journal = {Phil. Mag. A},
1745	>	Pages = {45-55},
1746	>	Title = {A Simple Empirical N-Body Potential for Transition-Metals},
1747	>	Volume = 50,
1748	>	Year = 1984}
1749
1750	<	@Article{petrache00,
1751	<	author =       {H.~I. Petrache and S.~W. Dodd and M.~F. Brown},
1752	<	title =        {Area per Lipid and Acyl Length Distributions in Fluid Phosphatidylcholines Determined by $^2\text{H}$ {\sc nmr} Spectroscopy},
1753	<	journal =      {Biophysical Journal},
1754	<	year =         2000,
1755	<	volume =       79,
1756	<	pages =        {3172-3192}
1757	<	}
1750	>	@article{Foiles86,
1751	>	Author = {S.~M. Foiles and M.~I. Baskes and M.~S. Daw},
1752	>	Date-Modified = {2006-02-15 10:17:44 -0500},
1753	>	Journal = prb,
1754	>	Number = 12,
1755	>	Pages = 7983,
1756	>	Title = {Embedded-atom-method functions for the fcc metals $\mbox{Cu, Ag, Au, Ni, Pd, Pt}$, and their alloys},
1757	>	Volume = 33,
1758	>	Year = 1986}
1759
1760	<	@Article{egberts88,
1761	<	author =       {E. Egberts and H.~J.~C. Berendsen},
1762	<	title =        {Molecular Dynamics Simulation of a smectic liquid crystal with atomic detail},
1763	<	journal =      {J. Chem. Phys.},
1764	<	year =         1988,
1765	<	volume =       89,
1766	<	pages =        {3718-3732}
1767	<	}
1760	>	@article{Daw93,
1761	>	Author = {M.~S. Daw and S.~M. Foiles and M.~I. Baskes},
1762	>	Date-Modified = {2006-02-15 10:16:13 -0500},
1763	>	Journal = {Mat. Sci. Rep.},
1764	>	Pages = {251-310},
1765	>	Title = {The embededd-atom method},
1766	>	Volume = 9,
1767	>	Year = 1993}
1768
1769	<	@Article{Holz00,
1770	<	author =       {M. Holz and S.~R. Heil and A. Sacco},
1771	<	title =        {Temperature-dependent self-diffusion coefficients of
1772	<	water and six selected molecular liquids for calibration
1773	<	in accurate $^1${\sc h} {\sc nmr pfg} measurements},
1774	<	journal =      {Phys. Chem. Chem. Phys.},
1775	<	year =         2000,
1776	<	volume =       2,
1777	<	pages =        {4740-4742},
2032	<	}
1769	>	@article{Johnson89,
1770	>	Author = {R.~A. Johnson},
1771	>	Date-Modified = {2006-02-15 10:21:36 -0500},
1772	>	Journal = prb,
1773	>	Number = 17,
1774	>	Pages = 12554,
1775	>	Title = {Alloy models with the embedded-atom method},
1776	>	Volume = 39,
1777	>	Year = 1989}
1778
1779	<	@InCollection{zannoni94,
1780	<	author =       {C. Zannoni},
1781	<	title =        {An introduction to the molecular dynamics method and to orientational dynamics in liquid crystals},
1782	<	booktitle =    {The Molecular Dynamics of Liquid Crstals},
1783	<	pages =        {139-169},
1784	<	publisher =    {Kluwer Academic Publishers},
1785	<	year =         1994,
1786	<	editor =       {G.~R. Luckhurst and C.~A. Veracini},
1787	<	chapter =      6
2043	<	}
1779	>	@article{Kol97,
1780	>	Author = {A. Kol and B.~B. Laird and B.~J. Leimkuhler},
1781	>	Date-Modified = {2006-02-15 10:24:53 -0500},
1782	>	Journal = jcp,
1783	>	Number = 7,
1784	>	Pages = {2580-2588},
1785	>	Title = {A symplectic method for rigid-body molecular simulation},
1786	>	Volume = 107,
1787	>	Year = 1997}
1788
1789	+	@article{Hoover85,
1790	+	Author = {W.~G. Hoover},
1791	+	Date-Modified = {2006-02-15 10:21:18 -0500},
1792	+	Journal = pra,
1793	+	Pages = 1695,
1794	+	Title = {Canonical dynamics: Equilibrium phase-space distributions},
1795	+	Volume = 31,
1796	+	Year = 1985}
1797
1798	<	@Article{melchionna93,
1799	<	author =       {S. Melchionna and G. Ciccotti and B.~L. Holian},
1800	<	title =        {Hoover {\sc npt} dynamics for systems varying in shape and size},
1801	<	journal =      {Molecular Physics},
1802	<	year =         1993,
1803	<	volume =       78,
1804	<	pages =        {533-544}
1805	<	}
1798	>	@article{Roux91,
1799	>	Author = {B. Roux and M. Karplus},
1800	>	Journal = jpc,
1801	>	Number = 15,
1802	>	Pages = {4856-4868},
1803	>	Title = {Ion transport in a Gramicidin-like channel: dynamics and mobility},
1804	>	Volume = 95,
1805	>	Year = 1991}
1806
1807	+	@article{Marrink94,
1808	+	Author = {S.~J Marrink and H.~J.~C. Berendsen},
1809	+	Journal = jpc,
1810	+	Number = 15,
1811	+	Pages = {4155-4168},
1812	+	Title = {Simulation of water transport through a lipid membrane},
1813	+	Volume = 98,
1814	+	Year = 1994}
1815
1816	+	@article{Daw89,
1817	+	Author = {Murray~S. Daw},
1818	+	Journal = {Physical Review B},
1819	+	Pages = {7441-7452},
1820	+	Title = {Model of metallic cohesion: The embedded-atom method},
1821	+	Volume = 39,
1822	+	Year = 1989}
1823
1824	<	@Article{Fennell04,
1825	<	author =       {C.~J. Fennell and J.~D. Gezelter},
1826	<	title =        {On the structural and transport properties of the soft sticky dipole(SSD) and related single point water models},
1827	<	journal =      jcp,
1828	<	year =         2004,
1829	<	volume =       120,
1830	<	number =       19,
1831	<	pages =        {9175-9184}
1832	<	}
1824	>	@inbook{Voter95b,
1825	>	Author = {A.~F. Voter},
1826	>	Chapter = 4,
1827	>	Date-Modified = {2006-02-15 10:35:07 -0500},
1828	>	Editor = {J.~H. Westbrook and R.~L. Fleischer},
1829	>	Pages = 77,
1830	>	Publisher = {John Wiley and Sons Ltd},
1831	>	Title = {Intermetallic Compounds: Principles and Practice},
1832	>	Volume = 1,
1833	>	Year = 1995}
1834
1835	<	@Article{klein01,
1836	<	author =       {J.~C. Shelley andf M.~Y. Shelley and R.~C. Reeder and S. Bandyopadhyay and M.~L. Klein},
1837	<	title =        {A coarse Grain Model for Phospholipid Simulations},
1838	<	journal =      {J. Phys. Chem. B},
1839	<	year =         2001,
1840	<	volume =       105,
1841	<	pages =        {4464-4470}
1842	<	}
1835	>	@article{Marrink02,
1836	>	Author = {S.~J. Marrink and D.~P. Teileman},
1837	>	Date-Modified = {2006-02-15 10:28:20 -0500},
1838	>	Journal = {Biophysical Journal},
1839	>	Pages = {2386-2392},
1840	>	Title = {Molecular Dynamics Simulation of Spontaneous Membrane Fusion during a Cubic-Hexagonal Phase Transition},
1841	>	Volume = 83,
1842	>	Year = 2002}
1843
1844	+	@article{Sum03,
1845	+	Author = {A.~K. Sum and J.~J. de~Pablo},
1846	+	Date-Modified = {2006-02-15 10:11:01 -0500},
1847	+	Journal = {Biophysical Journal},
1848	+	Pages = {3636-3645},
1849	+	Title = {Molecular Simulation Study on the influence of Dimethylsulfoxide on the structure of Phospholipid Bilayers},
1850	+	Volume = 85,
1851	+	Year = 2003}
1852
1853	<	@Article{marrink03:vesicles,
1854	<	author =       {S.~J. Marrink and A.~E. Mark},
1855	<	title =        {Molecular Dynaimcs Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles},
1856	<	journal =      {J. Am. Chem. Soc.},
1857	<	year =         2003,
1858	<	volume =       125,
1859	<	pages =        {15233-15242}
1860	<	}
1853	>	@article{Gomez03,
1854	>	Author = {J.~D. Faraldo-Gomez and G.~R. Smith and M.~S.P. Sansom},
1855	>	Date-Modified = {2006-02-15 10:17:14 -0500},
1856	>	Journal = {Eur. Biophys. J.},
1857	>	Pages = {217-227},
1858	>	Title = {Setting up and optimization of membrane protein simulations},
1859	>	Volume = 31,
1860	>	Year = 2002}
1861
1862	<	@Article{FletcherReeves,
1863	<	author =       {R. Fletcher and C.~M. Reeves},
1864	<	title =        {Function minimization by conjugate gradients},
1865	<	journal =      {Comput. J.},
1866	<	year =         1964,
1867	<	volume =       7,
1868	<	number =       2,
1869	<	pages =        {149-154}
2094	<	}
1862	>	@article{Smondyrev99,
1863	>	Author = {A.~M. Smondyrev and M.~L. Berkowitz},
1864	>	Date-Modified = {2006-02-15 10:10:29 -0500},
1865	>	Journal = {Biophysical Journal},
1866	>	Pages = {2472-2478},
1867	>	Title = {Molecular Dynamics Simulation of {\sc dppc} Bilayer in {\sc dmso}},
1868	>	Volume = 76,
1869	>	Year = 1999}
1870
1871	<	@Article{PolakRibiere,
1872	<	author =       {E. Polak and G. Ribiere},
1873	<	title =        {Note sur la convergence de methodes de directions conjugees},
1874	<	journal =      {Rev. Fr. Inform. Rech. Oper.},
1875	<	year =         1969,
1876	<	volume =       {16-R1},
1877	<	pages =        {35-43}
1878	<	}
1871	>	@article{Nina02,
1872	>	Author = {M. Nina and T. Simonson},
1873	>	Date-Modified = {2006-02-15 10:29:27 -0500},
1874	>	Journal = {J. Phys. Chem. B},
1875	>	Pages = {3696-3705},
1876	>	Title = {Molecular Dynamics of the $\text{tRNA}^{\text{Ala}}$ Acceptor Stem: Comparison between Continuum Reaction Field and Particle-Mesh Ewald Electrostatic Treatments},
1877	>	Volume = 106,
1878	>	Year = 2002}
1879
1880	<	@article{Voter:87,
1881	<	Author = {A.F. Voter and S.P. Chen},
1880	>	@article{Norberg00,
1881	>	Author = {J. Norberg and L. Nilsson},
1882	>	Date-Modified = {2006-02-15 10:29:36 -0500},
1883	>	Journal = {Biophysical Journal},
1884	>	Pages = {1537-1553},
1885	>	Title = {On the truncation of Long-Range Electrostatic Interactions in {\sc dna}},
1886	>	Volume = 79,
1887	>	Year = 2000}
1888	>
1889	>	@article{Patra03,
1890	>	Author = {M. Patra and M. Karttunen and M.~T. Hyv\"{o}nen and E. Falk and P. Lindqvist and I. Vattulainen},
1891	>	Date-Modified = {2006-02-15 10:29:58 -0500},
1892	>	Journal = {Biophysical Journal},
1893	>	Pages = {3636-3645},
1894	>	Title = {Molecular Dynamics Simulations of Lipid Bilayers: Major Artifacts Due to Truncating Electrostatic Interactions},
1895	>	Volume = 84,
1896	>	Year = 2003}
1897	>
1898	>	@article{Marrink04,
1899	>	Author = {S.~J. Marrink and A.~H. de~Vries and A.~E. Mark},
1900	>	Date-Modified = {2006-02-15 10:28:28 -0500},
1901	>	Journal = {J. Phys. Chem. B},
1902	>	Pages = {750-760},
1903	>	Title = {Coarse Grained Model for Semiquantitative Lipid Simulations},
1904	>	Volume = 108,
1905	>	Year = 2004}
1906	>
1907	>	@article{Andersen83,
1908	>	Author = {H.~C. Andersen},
1909	>	Date-Modified = {2006-02-15 10:08:20 -0500},
1910	>	Journal = {Journal of Computational Physics},
1911	>	Pages = {24-34},
1912	>	Title = {{\sc rattle}: A Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations},
1913	>	Volume = 52,
1914	>	Year = 1983}
1915	>
1916	>	@article{Hura00,
1917	>	Author = {G. Hura and J.~M. Sorenson and R.~M. Glaeser and T. Head-Gordon},
1918	>	Date-Modified = {2006-02-15 10:21:28 -0500},
1919	>	Journal = {J. Chem. Phys.},
1920	>	Pages = {9140-9148},
1921	>	Title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions},
1922	>	Volume = 113,
1923	>	Year = 2000}
1924	>
1925	>	@article{Ryckaert77,
1926	>	Author = {J.~P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen},
1927	>	Date-Modified = {2006-02-15 10:31:44 -0500},
1928	>	Journal = {Journal of Computational Physics},
1929	>	Pages = {327-341},
1930	>	Title = {Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes},
1931	>	Volume = 23,
1932	>	Year = 1977}
1933	>
1934	>	@inbook{Fowles99,
1935	>	Author = {G.~R. Fowles and G.~L. Cassiday},
1936	>	Chapter = 10,
1937	>	Date-Modified = {2006-02-15 10:18:00 -0500},
1938	>	Edition = {6th},
1939	>	Publisher = {Saunders College Publishing},
1940	>	Title = {Analytical Mechanics},
1941	>	Year = 1999}
1942	>
1943	>	@article{Petrache00,
1944	>	Author = {H.~I. Petrache and S.~W. Dodd and M.~F. Brown},
1945	>	Date-Modified = {2006-02-15 10:30:24 -0500},
1946	>	Journal = {Biophysical Journal},
1947	>	Pages = {3172-3192},
1948	>	Title = {Area per Lipid and Acyl Length Distributions in Fluid Phosphatidylcholines Determined by $^2\text{H}$ {\sc nmr} Spectroscopy},
1949	>	Volume = 79,
1950	>	Year = 2000}
1951	>
1952	>	@article{Egberts88,
1953	>	Author = {E. Egberts and H.~J.~C. Berendsen},
1954	>	Date-Modified = {2006-02-15 10:16:43 -0500},
1955	>	Journal = {J. Chem. Phys.},
1956	>	Pages = {3718-3732},
1957	>	Title = {Molecular Dynamics Simulation of a smectic liquid crystal with atomic detail},
1958	>	Volume = 89,
1959	>	Year = 1988}
1960	>
1961	>	@article{Holz00,
1962	>	Author = {M. Holz and S.~R. Heil and A. Sacco},
1963	>	Journal = {Phys. Chem. Chem. Phys.},
1964	>	Pages = {4740-4742},
1965	>	Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1${\sc h} {\sc nmr pfg} measurements},
1966	>	Volume = 2,
1967	>	Year = 2000}
1968	>
1969	>	@incollection{Zannoni94,
1970	>	Author = {C. Zannoni},
1971	>	Booktitle = {The Molecular Dynamics of Liquid Crstals},
1972	>	Chapter = 6,
1973	>	Date-Modified = {2006-02-15 10:12:36 -0500},
1974	>	Editor = {G.~R. Luckhurst and C.~A. Veracini},
1975	>	Pages = {139-169},
1976	>	Publisher = {Kluwer Academic Publishers},
1977	>	Title = {An introduction to the molecular dynamics method and to orientational dynamics in liquid crystals},
1978	>	Year = 1994}
1979	>
1980	>	@article{Melchionna93,
1981	>	Author = {S. Melchionna and G. Ciccotti and B.~L. Holian},
1982	>	Date-Modified = {2006-02-15 10:28:54 -0500},
1983	>	Journal = {Molecular Physics},
1984	>	Pages = {533-544},
1985	>	Title = {Hoover {\sc npt} dynamics for systems varying in shape and size},
1986	>	Volume = 78,
1987	>	Year = 1993}
1988	>
1989	>	@article{Fennell04,
1990	>	Author = {C.~J. Fennell and J.~D. Gezelter},
1991	>	Date-Modified = {2006-02-15 09:08:04 -0500},
1992	>	Journal = jcp,
1993	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_TempSSDs_04.pdf},
1994	>	Number = 19,
1995	>	Pages = {9175-9184},
1996	>	Title = {On the structural and transport properties of the soft sticky dipole(SSD) and related single point water models},
1997	>	Volume = 120,
1998	>	Year = 2004}
1999	>
2000	>	@article{Klein01,
2001	>	Author = {J.~C. Shelley andf M.~Y. Shelley and R.~C. Reeder and S. Bandyopadhyay and M.~L. Klein},
2002	>	Date-Modified = {2006-02-15 10:27:22 -0500},
2003	>	Journal = {J. Phys. Chem. B},
2004	>	Pages = {4464-4470},
2005	>	Title = {A Coarse Grain Model for Phospholipid Simulations},
2006	>	Volume = 105,
2007	>	Year = 2001}
2008	>
2009	>	@article{Marrink03,
2010	>	Author = {S.~J. Marrink and A.~E. Mark},
2011	>	Date-Modified = {2006-03-16 09:54:52 -0500},
2012	>	Journal = {J. Am. Chem. Soc.},
2013	>	Pages = {15233-15242},
2014	>	Title = {Molecular Dynamics Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles},
2015	>	Volume = 125,
2016	>	Year = 2003}
2017	>
2018	>	@article{Fletcher64,
2019	>	Author = {R. Fletcher and C.~M. Reeves},
2020	>	Date-Modified = {2006-02-15 10:17:34 -0500},
2021	>	Journal = {Comput. J.},
2022	>	Number = 2,
2023	>	Pages = {149-154},
2024	>	Title = {Function minimization by conjugate gradients},
2025	>	Volume = 7,
2026	>	Year = 1964}
2027	>
2028	>	@article{Polak69,
2029	>	Author = {E. Polak and G. Ribiere},
2030	>	Date-Modified = {2006-02-15 10:14:00 -0500},
2031	>	Journal = {Rev. Fr. Inform. Rech. Oper.},
2032	>	Pages = {35-43},
2033	>	Title = {Note sur la convergence de methodes de directions conjugees},
2034	>	Volume = {16-R1},
2035	>	Year = 1969}
2036	>
2037	>	@article{Voter87,
2038	>	Author = {A.~F. Voter and S.~P. Chen},
2039	>	Date-Modified = {2006-02-15 10:35:19 -0500},
2040		Journal = {Mat. Res. Soc. Symp. Proc.},
2041		Pages = {175},
2042		Title = {Accurate Interatomic Potentials for Ni, Al, and Ni3Al},
2043		Volume = {82},
2044		Year = {1987}}
2045
2046	<	@article{Hendrickson:95,
2046	>	@article{Hendrickson95,
2047		Author = {Bruce Hendrickson and Steve Plimpton},
2048	+	Date-Modified = {2006-02-15 10:19:11 -0500},
2049		Journal = {Journal of Parallel and Distributed Computing},
2050		Pages = {15-25},
2051		Title = {Parallel Many-body Simulations without All-to-All Communication},
2052		Volume = {27},
2053		Year = {1995}}
2054
2055	+	@inproceedings{Paradyn93,
2056	+	Address = {Pittsburgh, PA},
2057	+	Author = {S.~J. Plimpton and B.~A. Hendrickson},
2058	+	Booktitle = {Materials Theory and Modelling},
2059	+	Date-Modified = {2006-02-15 10:30:42 -0500},
2060	+	Editor = {J. Broughton and P. Bristowe and J. Newsam},
2061	+	Pages = 37,
2062	+	Publisher = {Materials Research Society},
2063	+	Series = {MRS Proceedings},
2064	+	Title = {Parallel Molecular Dynamics With the Embedded Atom Method},
2065	+	Volume = 291,
2066	+	Year = 1993}
2067
2068	<
2069	<	@InProceedings{Paradyn,
2070	<	author =       {S.~J. Plimpton and B.~A. Hendrickson},
2125	<	title =        {Parallel Molecular Dynamics With the Embedded Atom Method},
2126	<	booktitle =    {Materials Theory and Modelling},
2127	<	pages =        37,
2128	<	year =         1993,
2129	<	editor =       {J. Broughton and P. Bristowe and J. Newsam},
2130	<	volume =       291,
2131	<	series =       {MRS Proceedings},
2132	<	address =      {Pittsburgh, PA},
2133	<	publisher =    {Materials Research Society}
2134	<	}
2135	<
2136	<	@article{Voter:95,
2137	<	Author = {A.F. Voter},
2068	>	@article{Voter95a,
2069	>	Author = {A.~F. Voter},
2070	>	Date-Modified = {2006-02-15 10:35:27 -0500},
2071		Journal = {Intermetallic Compounds: Principles and Practice},
2072		Pages = {77},
2073		Title = {The Embedded-Atom Method},
2074		Volume = {1},
2075		Year = {1995}}
2076
2077	<	@article{Heller:90,
2077	>	@article{Heller90,
2078		Author = {H. Heller and H. Grubmuller and K. Schulten},
2079	+	Date-Modified = {2006-02-15 10:19:02 -0500},
2080		Journal = {Molecular Simulation},
2081		Pages = {133},
2082		Title = {Molecular dynamics simulation on a parallel computer},
2083		Volume = {5},
2084		Year = {1990}}
2085
2086	<	@Book{Fox88,
2087	<	author =       {G.~C. Fox and M.~A. Johnson and G.~A Lyzenga and S.~W. Otto and J.~K. Salmon and D.~W. Walker},
2088	<	title =        {Solving Promblems on Concurrent Processors},
2089	<	publisher =    {Prentice-Hall},
2090	<	year =         1988,
2091	<	volume =       {I},
2092	<	address =      {Englewood Cliffs, NJ}
2159	<	}
2086	>	@book{Fox88,
2087	>	Address = {Englewood Cliffs, NJ},
2088	>	Author = {G.~C. Fox and M.~A. Johnson and G.~A Lyzenga and S.~W. Otto and J.~K. Salmon and D.~W. Walker},
2089	>	Publisher = {Prentice-Hall},
2090	>	Title = {Solving Promblems on Concurrent Processors},
2091	>	Volume = {I},
2092	>	Year = 1988}
2093
2094	<	@Article{Gromacs,
2095	<	author =       {H.~J.~C. Berendsen, D. van~der~Spoel and R. van~Drunen},
2096	<	title =        {GROMACS: A message-passing parallel molecular dynamics implementation},
2097	<	journal =      {Comp. Phys. Comm.},
2098	<	year =         1995,
2099	<	volume =       91,
2100	<	pages =        {43-56}
2101	<	}
2094	>	@article{Berendsen95,
2095	>	Author = {H.~J.~C. Berendsen and D. van~der~Spoel and R. van~Drunen},
2096	>	Date-Modified = {2006-02-15 10:20:47 -0500},
2097	>	Journal = {Comp. Phys. Comm.},
2098	>	Pages = {43-56},
2099	>	Title = {GROMACS: A message-passing parallel molecular dynamics implementation},
2100	>	Volume = 91,
2101	>	Year = 1995}
2102
2103	<	@Article{Gromacs3,
2104	<	author =       {E. Lindahl and B. Hess and D. van~der~Spoel},
2105	<	title =        {GROMACS 3.0: A package for molecular simulation and trajectory analysis},
2106	<	journal =      {J. Mol. Mod.},
2107	<	year =         2001,
2108	<	volume =       7,
2109	<	pages =        {306-317}
2110	<	}
2103	>	@article{Lindahl01,
2104	>	Author = {E. Lindahl and B. Hess and D. van~der~Spoel},
2105	>	Date-Modified = {2006-02-15 10:25:51 -0500},
2106	>	Journal = {J. Mol. Mod.},
2107	>	Pages = {306-317},
2108	>	Title = {GROMACS 3.0: A package for molecular simulation and trajectory analysis},
2109	>	Volume = 7,
2110	>	Year = 2001}
2111
2112	<	@Article{DL_POLY,
2113	<	author =       {W. Smith and T. Forester},
2114	<	title =        {DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package },
2115	<	journal =      {J. Molec. Graphics.},
2116	<	year =         1996,
2117	<	volume =       14,
2118	<	number =       3,
2119	<	pages =        {136-141}
2120	<	}
2112	>	@article{Smith96,
2113	>	Author = {W. Smith and T. Forester},
2114	>	Date-Modified = {2006-02-15 10:10:14 -0500},
2115	>	Journal = {J. Molec. Graphics.},
2116	>	Number = 3,
2117	>	Pages = {136-141},
2118	>	Title = {DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package},
2119	>	Volume = 14,
2120	>	Year = 1996}
2121
2122	<	@Article{Tinker,
2123	<	author =       {J.~W. Ponder and F.~M. Richards},
2124	<	title =        {AN EFFICIENT NEWTON-LIKE METHOD FOR MOLECULAR MECHANICS ENERGY MINIMIZATION OF LARGE MOLECULES},
2125	<	journal =      {J. Comp. Chem.},
2126	<	year =         1987,
2127	<	volume =       8,
2128	<	number =       7,
2129	<	pages =        {1016-1024}
2130	<	}
2122	>	@article{Ponder87,
2123	>	Author = {J.~W. Ponder and F.~M. Richards},
2124	>	Date-Modified = {2006-02-15 10:13:45 -0500},
2125	>	Journal = {J. Comp. Chem.},
2126	>	Number = 7,
2127	>	Pages = {1016-1024},
2128	>	Title = {AN EFFICIENT NEWTON-LIKE METHOD FOR MOLECULAR MECHANICS ENERGY MINIMIZATION OF LARGE MOLECULES},
2129	>	Volume = 8,
2130	>	Year = 1987}
2131
2132	<	@Article{Berendsen87,
2133	<	author =       {H.~J.~C. Berendsen and J.~R. Grigera and T.~P. Straatsma},
2134	<	title =        {The Missing Term in Effective Pair Potentials},
2135	<	journal =      jpc,
2136	<	year =         1987,
2137	<	volume =       91,
2138	<	pages =        {6269-6271}
2206	<	}
2132	>	@article{Berendsen87,
2133	>	Author = {H.~J.~C. Berendsen and J.~R. Grigera and T.~P. Straatsma},
2134	>	Journal = jpc,
2135	>	Pages = {6269-6271},
2136	>	Title = {The Missing Term in Effective Pair Potentials},
2137	>	Volume = 91,
2138	>	Year = 1987}
2139
2140	<	@InCollection{Berendsen81,
2141	<	author =       {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans},
2142	<	title =        {Simple Point Charge Water},
2143	<	booktitle =    {Intermolecular Forces},
2144	<	pages =        331,
2145	<	publisher =    {Reidel},
2146	<	year =         1981,
2147	<	editor =       {B. Pullman},
2148	<	address =      {Dordrecht}
2217	<	}
2140	>	@incollection{Berendsen81,
2141	>	Address = {Dordrecht},
2142	>	Author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans},
2143	>	Booktitle = {Intermolecular Forces},
2144	>	Editor = {B. Pullman},
2145	>	Pages = 331,
2146	>	Publisher = {Reidel},
2147	>	Title = {Simple Point Charge Water},
2148	>	Year = 1981}
2149
2150	+	@article{Mahoney00,
2151	+	Author = {M.~W. Mahoney and W.~L. Jorgensen},
2152	+	Journal = jcp,
2153	+	Number = 20,
2154	+	Pages = {8910-8922},
2155	+	Title = {A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions},
2156	+	Volume = 112,
2157	+	Year = 2000}
2158
2159	<	@Article{Mahoney00,
2160	<	author =       {M.~W. Mahoney and W.~L. Jorgensen},
2161	<	title =        {A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions},
2162	<	journal =      jcp,
2163	<	year =         2000,
2164	<	volume =       112,
2165	<	number =       20,
2166	<	pages =        {8910-8922}
2167	<	}
2159	>	@article{Meineke05,
2160	>	Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
2161	>	Date-Modified = {2006-03-05 12:37:31 -0500},
2162	>	Journal = {J. Comp. Chem.},
2163	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Meineke_OOPSE_05.pdf},
2164	>	Pages = {252-271},
2165	>	Title = {OOPSE: An Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
2166	>	Volume = 26,
2167	>	Year = 2005}
2168
2169	+	@article{Baez95a,
2170	+	Author = {L.~A. B\`{a}ez and P. Clancy},
2171	+	Journal = mp,
2172	+	Number = 3,
2173	+	Pages = {385-396},
2174	+	Title = {Calculation of free energy for molecular crystals by thermodynamic integration},
2175	+	Volume = 86,
2176	+	Year = 1995}
2177
2178	<	@Article{Meineke05,
2179	<	author =       {M.~A. Meineke and C.~F. Vardeman~II and T. Lin and C.~J. Fennell and J.~D. Gezelter},
2180	<	title =        {OOPSE: An Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
2181	<	journal =      {J. Comp. Chem.},
2182	<	year =         2005,
2183	<	volume =       26,
2184	<	pages =        {252-271}
2185	<	}
2178	>	@article{Baez95b,
2179	>	Author = {L.~A. B\`{a}ez and P. Clancy},
2180	>	Journal = jcp,
2181	>	Number = 22,
2182	>	Pages = {9744-9755},
2183	>	Title = {Phase equilibria in extended simple point charge ice-water systems},
2184	>	Volume = 103,
2185	>	Year = 1995}
2186
2187	<	@Article{Baez95a,
2188	<	author =       {L.~A. B\`{a}ez and P. Clancy},
2189	<	title =        {Calculation of free energy for molecular crystals by thermodynamic integration},
2190	<	journal =      mp,
2191	<	year =         1995,
2192	<	volume =       86,
2193	<	number =       3,
2194	<	pages =        {385-396}
2248	<	}
2187	>	@article{Davidson84,
2188	>	Author = {E.~R. Davidson and K. Morokuma},
2189	>	Journal = jcp,
2190	>	Number = 8,
2191	>	Pages = {3741-3742},
2192	>	Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
2193	>	Volume = 81,
2194	>	Year = 1984}
2195
2196	<	@Article{Baez95b,
2197	<	author =       {L.~A. B\`{a}ez and P. Clancy},
2198	<	title =        {Phase equilibria in extended simple point charge ice-water systems},
2199	<	journal =      jcp,
2200	<	year =         1995,
2201	<	volume =       103,
2202	<	number =       22,
2203	<	pages =        {9744-9755}
2258	<	}
2196	>	@article{Sanz04,
2197	>	Author = {E. Sanz and C. Vega and J.~L.~F. Abascal and L.~G. MacDowell},
2198	>	Journal = prl,
2199	>	Number = 25,
2200	>	Pages = 255701,
2201	>	Title = {Phase Diagram of Water from Computer Simulation},
2202	>	Volume = 92,
2203	>	Year = 2004}
2204
2205	<	@Article{Davidson84,
2206	<	author =       {E.~R. Davidson and K. Morokuma},
2207	<	title =        {A proposed antiferroelectric structure for proton ordered ice Ih},
2208	<	journal =      jcp,
2209	<	year =         1984,
2210	<	volume =       81,
2211	<	number =       8,
2267	<	pages =        {3741-3742}
2268	<	}
2205	>	@article{Onsager36,
2206	>	Author = {L. Onsager},
2207	>	Journal = jacs,
2208	>	Pages = {1486-1493},
2209	>	Title = {Electric Moments of Molecules in Liquids},
2210	>	Volume = 58,
2211	>	Year = 1936}
2212
2213	<	@Article{Sanz04,
2214	<	author =       {E. Sanz and C. Vega and J.~L.~F. Abascal and L.~G. MacDowell},
2215	<	title =        {Phase Diagram of Water from Computer Simulation},
2216	<	journal =      prl,
2217	<	year =         2004,
2218	<	volume =       92,
2219	<	number =       25,
2277	<	pages =        255701
2278	<	}
2213	>	@article{Matsumoto02,
2214	>	Author = {M. Matsumoto and S. Saito and I. Ohimine},
2215	>	Journal = {Nature (London)},
2216	>	Pages = {409-413},
2217	>	Title = {Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing},
2218	>	Volume = 416,
2219	>	Year = 2002}
2220
2221	<	@Article{Onsager36,
2222	<	author =       {L. Onsager},
2223	<	title =        {Electric Moments of Molecules in Liquids},
2224	<	journal =      jacs,
2225	<	year =         1936,
2226	<	volume =       58,
2227	<	pages =        {1486-1493}
2228	<	}
2221	>	@article{Yamada02,
2222	>	Author = {M. Yamada and S. Mossa and H.~E. Stanley and F. Sciortino},
2223	>	Journal = prl,
2224	>	Number = 19,
2225	>	Pages = 195701,
2226	>	Title = {Interplay between Time-Temperature Transformation and the Liquid-Liquid Phase Transition in Water},
2227	>	Volume = 88,
2228	>	Year = 2002}
2229
2230	<	@Article{Matsumoto02,
2231	<	author =       {M. Matsumoto and S. Saito and I. Ohimine},
2232	<	title =        {Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing},
2233	<	journal =      {Nature (London)},
2234	<	year =         2002,
2235	<	volume =       416,
2236	<	pages =        {409-413},
2296	<	}
2230	>	@article{Wallqvist95,
2231	>	Author = {A. Wallqvist and B.~J. Berne},
2232	>	Journal = jpc,
2233	>	Pages = {2885-2892},
2234	>	Title = {Molecular Dynamics Study of the Dependence of Water Solvation Free Energy on Solute Curvature and Surface Area},
2235	>	Volume = 99,
2236	>	Year = 1995}
2237
2238	<	@Article{Yamada02,
2239	<	author =       {M. Yamada and S. Mossa and H.~E. Stanley and F. Sciortino},
2240	<	title =        {Interplay between Time-Temperature Transformation and the Liquid-Liquid Phase Transition in Water},
2241	<	journal =      prl,
2242	<	year =         2002,
2243	<	volume =       88,
2244	<	number =       19,
2245	<	pages =        195701,
2306	<	}
2238	>	@article{Vlot99,
2239	>	Author = {M.~J. Vlot and J. Huinink and J.~P. van~der~Eerden},
2240	>	Journal = jcp,
2241	>	Number = 1,
2242	>	Pages = {55-61},
2243	>	Title = {Free energy calculations on systems of rigid molecules: An application to the TIP4P model of H$_2$O},
2244	>	Volume = 110,
2245	>	Year = 1999}
2246
2247	<	@Article{Wallqvist95,
2248	<	author =       {A. Wallqvist and B.~J. Berne},
2249	<	title =        {Molecular Dynamics Study of the Dependence of Water Solvation Free Energy on Solute Curvature and Surface Area},
2250	<	journal =      jpc,
2251	<	year =         1995,
2252	<	volume =       99,
2253	<	pages =        {2885-2892}
2254	<	}
2247	>	@article{Gao00,
2248	>	Author = {G.~T. Gao and X.~C. Zeng and H. Tanaka},
2249	>	Journal = jcp,
2250	>	Number = 19,
2251	>	Pages = {8534-8538},
2252	>	Title = {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water},
2253	>	Volume = 112,
2254	>	Year = 2000}
2255
2256	<	@Article{Vlot99,
2257	<	author =       {M.~J. Vlot and J. Huinink and J.~P. van~der~Eerden},
2258	<	title =        {Free energy calculations on systems of rigid molecules: An application to the TIP4P model of H$_2$O},
2259	<	journal =      jcp,
2260	<	year =         1999,
2261	<	volume =       110,
2262	<	number =       1,
2263	<	pages =        {55-61}
2325	<	}
2256	>	@article{Bizid87,
2257	>	Author = {A. Bizid and L. Bosio and A. Defrain and M. Oumezzine},
2258	>	Journal = jcp,
2259	>	Number = 4,
2260	>	Pages = {2225-2230},
2261	>	Title = {Structure of high-density amorphous water. I. X-ray diffraction study},
2262	>	Volume = 87,
2263	>	Year = 1987}
2264
2265	<	@Article{Gao00,
2266	<	author =       {G.~T. Gao and X.~C. Zeng and H. Tanaka},
2267	<	title =        {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water},
2268	<	journal =      jcp,
2269	<	year =         2000,
2270	<	volume =       112,
2271	<	number =       19,
2272	<	pages =        {8534-8538}
2335	<	}
2265	>	@article{Quintana92,
2266	>	Author = {J. Quintana and A.~D.~J. Haymet},
2267	>	Journal = cpl,
2268	>	Number = 3,
2269	>	Pages = {273-277},
2270	>	Title = {The chemical potential of water: molecular dynamics computer simulation of the CF and SPC models},
2271	>	Volume = 189,
2272	>	Year = 1992}
2273
2274	<	@Article{Bizid87,
2275	<	author =       {A. Bizid and L. Bosio and A. Defrain and M. Oumezzine},
2276	<	title =        {Structure of high-density amorphous water. I. X-ray diffraction study},
2277	<	journal =      jcp,
2278	<	year =         1987,
2279	<	volume =       87,
2280	<	number =       4,
2344	<	pages =        {2225-2230}
2345	<	}
2274	>	@article{Mezei92,
2275	>	Author = {M. Mezei},
2276	>	Journal = {J. Comput. Chem.},
2277	>	Pages = 651,
2278	>	Title = {Don't Remember},
2279	>	Volume = 13,
2280	>	Year = 1992}
2281
2282	<	@Article{Quintana92,
2283	<	author =       {J. Quintana and A.~D.~J. Haymet},
2284	<	title =        {The chemical potential of water: molecular dynamics computer simulation of the CF and SPC models},
2285	<	journal =      cpl,
2286	<	year =         1992,
2287	<	volume =       189,
2288	<	number =       3,
2354	<	pages =        {273-277}
2355	<	}
2282	>	@article{Widom63,
2283	>	Author = {B. Widom},
2284	>	Journal = jcp,
2285	>	Pages = 2808,
2286	>	Title = {Particle insertion},
2287	>	Volume = 39,
2288	>	Year = 1963}
2289
2290	+	@article{Clancy94,
2291	+	Author = {L.~A. B\'{a}ez and P. Clancy},
2292	+	Journal = jcp,
2293	+	Number = 11,
2294	+	Pages = {9837-9840},
2295	+	Title = {Existence of a density maximum in extended simple point charge water},
2296	+	Volume = 101,
2297	+	Year = 1994}
2298
2299	<	@Article{Mezei92,
2300	<	author =       {M. Mezei},
2301	<	title =        {Don't Remember},
2302	<	journal =      {J. Comput. Chem.},
2303	<	year =         1992,
2304	<	volume =       13,
2305	<	pages =        651
2306	<	}
2299	>	@article{Jorgensen98b,
2300	>	Author = {W.~L. Jorgensen and C. Jenson},
2301	>	Journal = jcc,
2302	>	Number = 10,
2303	>	Pages = {1179-1186},
2304	>	Title = {Temperature Dependence of TIP3P, SPC, and TIP4P Water from NPT Monte Carlo Simulations: Seeking Temperatures of Maximum Density},
2305	>	Volume = 19,
2306	>	Year = 1998}
2307
2308	+	@article{Mahoney01,
2309	+	Author = {M.~W. Mahoney and W.~L. Jorgensen},
2310	+	Journal = jcp,
2311	+	Number = 1,
2312	+	Pages = {363-366},
2313	+	Title = {Diffusion constant of the TIP5P model of liquid water},
2314	+	Volume = 114,
2315	+	Year = 2001}
2316
2317	<	@Article{Widom63,
2318	<	author =       {B. Widom},
2319	<	title =        {Particle insertion},
2320	<	journal =      jcp,
2321	<	year =         1963,
2322	<	volume =       39,
2323	<	pages =        2808
2324	<	}
2317	>	@article{Rahman75,
2318	>	Author = {A. Rahman and F.~H. Stillinger and H.~L. Lemberg},
2319	>	Journal = jcp,
2320	>	Number = 12,
2321	>	Pages = {5223-5230},
2322	>	Title = {Study of a central force model for liquid water by molecular dynamics},
2323	>	Volume = 63,
2324	>	Year = 1975}
2325
2326	<	@Article{Clancy94,
2327	<	author =       {L.~A. B\'{a}ez and P. Clancy},
2328	<	title =        {Existence of a density maximum in extended simple point
2329	<	charge water},
2330	<	journal =      jcp,
2331	<	year =         1994,
2332	<	volume =       101,
2333	<	number =       11,
2334	<	pages =        {9837-9840}
2386	<	}
2326	>	@article{Spoel98,
2327	>	Author = {D. {van der Spoel} and P.~J. {van Maaren} and H.~J.~C. Berendsen},
2328	>	Date-Modified = {2006-03-05 12:38:54 -0500},
2329	>	Journal = jcp,
2330	>	Number = 24,
2331	>	Pages = {10220-10230},
2332	>	Title = {A systematic study of water models for molecular simulation: Derivation of water models optimized for use with a reaction field},
2333	>	Volume = 108,
2334	>	Year = 1998}
2335
2336	<	@Article{Jorgensen98b,
2337	<	author =       {W.~L. Jorgensen and C. Jenson},
2338	<	title =        {Temperature Dependence of TIP3P, SPC, and TIP4P Water
2339	<	from NPT Monte Carlo Simulations: Seeking Temperatures
2340	<	of Maximum Density},
2341	<	journal =      jcc,
2342	<	year =         1998,
2395	<	volume =       19,
2396	<	number =       10,
2397	<	pages =        {1179-1186}
2398	<	}
2336	>	@article{Gallagher03,
2337	>	Author = {K.~R. Gallagher and K.~A. Sharp},
2338	>	Journal = jacs,
2339	>	Pages = 9853,
2340	>	Title = {A New Angle on Heat Capacity Changes in Hydrophobic Solvation},
2341	>	Volume = 125,
2342	>	Year = 2003}
2343
2344	<	@Article{Mahoney01,
2345	<	author =       {M.~W. Mahoney and W.~L. Jorgensen},
2346	<	title =        {Diffusion constant of the TIP5P model of liquid water},
2347	<	journal =      jcp,
2348	<	year =         2001,
2349	<	volume =       114,
2350	<	number =       1,
2351	<	pages =        {363-366},
2408	<	}
2344	>	@article{Frenkel84,
2345	>	Author = {D. Frenkel and A.~J.~C. Ladd},
2346	>	Journal = jcp,
2347	>	Number = 7,
2348	>	Pages = {3188-3193},
2349	>	Title = {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres},
2350	>	Volume = 81,
2351	>	Year = 1984}
2352
2353	<	@Article{Rahman75,
2354	<	author =       {A. Rahman and F.~H. Stillinger and H.~L. Lemberg},
2355	<	title =        {Study of a central force model for liquid water by
2356	<	molecular dynamics},
2357	<	journal =      jcp,
2358	<	year =         1975,
2359	<	volume =       63,
2417	<	number =       12,
2418	<	pages =        {5223-5230}
2419	<	}
2353	>	@article{Hermens88,
2354	>	Author = {J. Hermans and A. Pathiaseril and A. Anderson},
2355	>	Journal = jacs,
2356	>	Pages = {5982-5986},
2357	>	Title = {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models},
2358	>	Volume = 110,
2359	>	Year = 1988}
2360
2361	<	@Article{Berendsen98,
2362	<	author =       {D. van der Spoel and P.~J. van Maaren and H.~J.~C. Berendsen},
2363	<	title =        {A systematc study of water models for molecular
2364	<	simulation: Derivation of water models optimized for
2365	<	use with a reaction field},
2366	<	journal =      jcp,
2367	<	year =         1998,
2368	<	volume =       108,
2429	<	number =       24,
2430	<	pages =        {10220-10230}
2431	<	}
2361	>	@article{Meijer90,
2362	>	Author = {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd},
2363	>	Journal = jcp,
2364	>	Number = 12,
2365	>	Pages = {7570-7575},
2366	>	Title = {Location of melting point at 300 K of nitrogen by Monte Carlo simulation},
2367	>	Volume = 92,
2368	>	Year = 1990}
2369
2370	<	@Article{Gallagher03,
2371	<	author =       {K.~R. Gallagher and K.~A. Sharp},
2372	<	title =        {A New Angle on Heat Capacity Changes in Hydrophobic Solvation},
2373	<	journal =      jacs,
2374	<	year =         2003,
2375	<	volume =       125,
2376	<	pages =        9853
2440	<	}
2370	>	@article{Li96,
2371	>	Author = {H. Li and R. Helling and C. Tang and N. Wingreen},
2372	>	Journal = {Science},
2373	>	Pages = {666-669},
2374	>	Title = {Emergence of Preferred Structures in a Simple Model of Protein Folding},
2375	>	Volume = 273,
2376	>	Year = 1996}
2377
2378	<	@Article{Frenkel84,
2379	<	author =       {D. Frenkel and A.~J.~C. Ladd},
2380	<	title =        {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres},
2381	<	journal =      jcp,
2382	<	year =         1984,
2383	<	volume =       81,
2384	<	number =       7,
2385	<	pages =        {3188-3193}
2450	<	}
2378	>	@article{Stillinger74,
2379	>	Author = {F.~H. Stillinger and A. Rahman},
2380	>	Journal = jcp,
2381	>	Number = 4,
2382	>	Pages = {1545-1557},
2383	>	Title = {Improved simulation of liquid water by molecular dynamics},
2384	>	Volume = 60,
2385	>	Year = 1974}
2386
2387	<	@Article{Hermens88,
2388	<	author =       {J. Hermans and A. Pathiaseril and A. Anderson},
2389	<	title =        {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models},
2390	<	journal =      jacs,
2391	<	year =         1988,
2392	<	volume =       110,
2393	<	pages =        {5982-5986}
2394	<	}
2387	>	@article{Caldwell95,
2388	>	Author = {J.~W. Caldwell and P.~A. Kollman},
2389	>	Journal = jpc,
2390	>	Number = 16,
2391	>	Pages = {6208-6219},
2392	>	Title = {Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and $N$-Methylacetamide},
2393	>	Volume = 99,
2394	>	Year = 1995}
2395
2396	<	@Article{Meijer90,
2397	<	author =       {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd},
2398	<	title =        {Location of melting point at 300 K of nitrogen by Monte Carlo simulation},
2399	<	journal =      jcp,
2400	<	year =         1990,
2401	<	volume =       92,
2402	<	number =       12,
2403	<	pages =        {7570-7575}
2404	<	}
2396	>	@article{Urbic00,
2397	>	Author = {T. Urbi\v{c} and V. Vlachy and Y.~V. Kalyuzhnyi and N.~T. Southall and K.~A. Dill},
2398	>	Date-Modified = {2006-02-15 10:34:30 -0500},
2399	>	Journal = jcp,
2400	>	Number = 6,
2401	>	Pages = {2843-2848},
2402	>	Title = {A two-dimensional model of water: Therory and computer simulations},
2403	>	Volume = 112,
2404	>	Year = 2000}
2405
2406	<	@Article{Li96,
2407	<	author =       {H. Li and R. Helling and C. Tang and N. Wingreen},
2408	<	title =        {Emergence of Preferred Structures in a Simple Model of Protein Folding},
2409	<	journal =      {Science},
2410	<	year =         1996,
2411	<	volume =       273,
2412	<	pages =        {666-669}
2413	<	}
2479	<
2480	<	@Article{Stillinger74,
2481	<	author =       {F.~H. Stillinger and A. Rahman},
2482	<	title =        {Improved simulation of liquid water by molecular dynamics},
2483	<	journal =      jcp,
2484	<	year =         1974,
2485	<	volume =       60,
2486	<	number =       4,
2487	<	pages =        {1545-1557}
2488	<	}
2489	<
2490	<	@Article{Caldwell95,
2491	<	author =       {J.~W. Caldwell and P.~A. Kollman},
2492	<	title =        {Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and $N$-Methylacetamide},
2493	<	journal =      jpc,
2494	<	year =         1995,
2495	<	volume =       99,
2496	<	number =       16,
2497	<	pages =        {6208-6219}
2498	<	}
2499	<
2500	<	@Article{Dill00,
2501	<	author =       {T. Urbi\v{c} and V. Vlachy and Y.~V. Kalyuzhnyi and N.~T. Southall and K.~A. Dill},
2502	<	title =        {A two-dimensional model of water: Therory and computer simulations},
2503	<	journal =      jcp,
2504	<	year =         2000,
2505	<	volume =       112,
2506	<	number =       6,
2507	<	pages =        {2843-2848}
2508	<	}
2509	<
2510	<	@Article{Yang04,
2511	<	author =       {Jianjun Yang and Sheng Meng and L.~F. Xu and E.~G. Wang},
2512	<	title =        {Ice Tessellation on a Hydroxylated Silica Surface},
2513	<	journal =      prl,
2514	<	year =         2004,
2515	<	volume =       92,
2516	<	number =       14,
2517	<	pages =        146102
2518	<	}
2519	<
2406	>	@article{Yang04,
2407	>	Author = {Jianjun Yang and Sheng Meng and L.~F. Xu and E.~G. Wang},
2408	>	Journal = prl,
2409	>	Number = 14,
2410	>	Pages = 146102,
2411	>	Title = {Ice Tessellation on a Hydroxylated Silica Surface},
2412	>	Volume = 92,
2413	>	Year = 2004}

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