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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 2601 by chrisfen, Mon Mar 6 19:36:58 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 2006-03-05 12:38:54 -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	<	}
48	>	@article{Essmann95,
49	>	Author = {U. Essmann and L. Perera and M.~L. Berkowitz and T. Darden and H. Lee and L.~G. Pedersen},
50	>	Date-Added = {2006-03-05 12:25:25 -0500},
51	>	Date-Modified = {2006-03-05 12:29:07 -0500},
52	>	Journal = {J. Chem. Phys.},
53	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/toCite/Essmann_SmoothPME_95.pdf},
54	>	Number = {19},
55	>	Pages = {8577-8593},
56	>	Title = {A smooth particle mesh Ewald method },
57	>	Volume = {103},
58	>	Year = {1995}}
59
60	<	@Article{Zwanzig88,
61	<	author =       {R. Zwanzig},
62	<	title =        {Diffusion in rough potential},
63	<	journal =      {Proc. Natl. Acad. Sci. USA},
64	<	year =         1988,
65	<	volume =       85,
66	<	pages =        2029
67	<	}
60	>	@article{Kast03,
61	>	Author = {S.~M. Kast and K.~F. Schmidt and B. Schilling},
62	>	Date-Added = {2006-02-18 16:47:26 -0500},
63	>	Date-Modified = {2006-02-18 16:51:25 -0500},
64	>	Journal = {Chem. Phys. Lett.},
65	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/WolfApplications/Kast_dampedCoulomb_03.pdf},
66	>	Pages = {398-404},
67	>	Title = {Integral equation theory for correcting truncation errors in molecular simulations},
68	>	Volume = {367},
69	>	Year = {2003}}
70
71	<	@Article{Stillinger95,
72	<	author =       {F.~H. Stillinger},
73	<	title =        {A Topographic View of Supercooled Liquids and Glass
74	<	Formation},
75	<	journal =      {Science},
76	<	year =         1995,
77	<	volume =       267,
78	<	pages =        {1935-1939}
79	<	}
71	>	@article{Tobias01,
72	>	Author = {D.~J. Tobias},
73	>	Date-Added = {2006-02-15 11:28:58 -0500},
74	>	Date-Modified = {2006-02-15 11:32:16 -0500},
75	>	Journal = {Curr. Opin. Struct. Biol.},
76	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Tobias_ElectrostaticsCalculations_01.pdf},
77	>	Pages = {253-261},
78	>	Title = {Electrostatics calculations: recent methodological advances and applications to membranes},
79	>	Volume = {11},
80	>	Year = {2001}}
81
82	<	@InCollection{Angell85,
83	<	author =       {C.~A. Angell},
84	<	title =        {unknown},
85	<	booktitle =    {Relaxations in Complex Systems},
86	<	publisher =    {National Technical Information Service,
87	<	U.S. Department of Commerce},
88	<	year =         1985,
89	<	editor =       {K.~Ngai and G.~B. Wright},
90	<	address =      {Springfield, VA},
91	<	pages =        1
92	<	}
82	>	@article{Zahn02,
83	>	Author = {D. Zahn and B. Schilling and S.~M. Kast},
84	>	Date-Added = {2006-02-15 09:21:27 -0500},
85	>	Date-Modified = {2006-02-15 09:24:07 -0500},
86	>	Journal = {J. Phys. Chem. B},
87	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/WolfApplications/Zahn_enhancedWolfH2O_02.pdf},
88	>	Number = {41},
89	>	Pages = {10725-10732},
90	>	Title = {Enhancement of the Wolf Damped Coulomb Potential: Static, Dynamic, and Dielectric Properties of Liquid Water from Molecular Simulation},
91	>	Volume = {106},
92	>	Year = {2002}}
93
94	<	@Article{Bembenek96,
95	<	author =       {S.~D. Bembenek and B.~B. Laird},
96	<	title =        {The role of localization in glasses and supercooled liquids},
97	<	journal =      jcp,
98	<	year =         1996,
99	<	volume =       104,
100	<	pages =        5199
101	<	}
94	>	@article{Wolf99,
95	>	Author = {D. Wolf and P. Keblinski and S.~R. Phillpot and J. Eggebrecht},
96	>	Date-Added = {2006-02-15 09:09:39 -0500},
97	>	Date-Modified = {2006-02-15 09:25:30 -0500},
98	>	Journal = {J. Chem. Phys.},
99	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/Wolf_electroCorr_99.pdf},
100	>	Number = {17},
101	>	Pages = {8255-8282},
102	>	Rating = {0},
103	>	Read = {No},
104	>	Title = {Exact method for the simulation of Coulombic systems by spherically truncated, pairwise},
105	>	Volume = {110},
106	>	Year = {1999}}
107
108	<	@Article{Sun97,
109	<	author =       {X. Sun and W.~H. Miller},
110	<	title =        {Semiclassical initial value representation for
111	<	electronically nonadiabatic molecular dynamics},
112	<	journal =      jcp,
113	<	year =         1997,
315	<	volume =       106,
316	<	pages =        6346
317	<	}
108	>	@book{Berne90,
109	>	Address = {Malabar, Florida},
110	>	Author = {B.~J. Berne and R. Pecora},
111	>	Publisher = {Robert E. Krieger Publishing Company, Inc.},
112	>	Title = {Dynamic Light Scattering},
113	>	Year = 1990}
114
115	<	@Article{Spath96,
116	<	author =       {B.~W. Spath and W.~H. Miller},
117	<	title =        {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION
118	<	PROBABILITIES},
119	<	journal =      jcp,
120	<	year =         1996,
121	<	volume =       104,
326	<	pages =        95
327	<	}
115	>	@article{Evans77,
116	>	Author = {D.~J. Evans},
117	>	Journal = {Mol. Phys.},
118	>	Pages = {317-325},
119	>	Title = {On the representation of orientation space},
120	>	Volume = 34,
121	>	Year = 1977}
122
123	<	@Book{Warshel91,
124	<	author =       {Arieh Warshel},
125	<	title =        {Computer modeling of chemical reactions in enzymes
126	<	and solutions},
127	<	publisher =    {Wiley},
128	<	year =         1991,
129	<	address =      {New York}
336	<	}
123	>	@article{Tuckerman92,
124	>	Author = {M. Tuckerman and B.~J. Berne and G.~J. Martyna},
125	>	Journal = jcp,
126	>	Pages = {1990-2001},
127	>	Title = {Reversible multiple time scale molecular dynamics},
128	>	Volume = 97,
129	>	Year = 1992}
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	>	@book{Hansen86,
132	>	Address = {London},
133	>	Author = {J.~P. Hansen and I.~R. McDonald},
134	>	Chapter = 7,
135	>	Pages = {199-206},
136	>	Publisher = {Academic Press},
137	>	Title = {Theory of Simple Liquids},
138	>	Year = 1986}
139
140	<	@Article{Kob95a,
141	<	author =       {W. Kob and H.~C. Andersen},
142	<	title =        {Testing mode-coupling theory for a supercooled
143	<	binary Lennard-Jones mixtures: The van Hove
144	<	corraltion function},
145	<	journal =      pre,
146	<	year =         1995,
147	<	volume =       51,
355	<	pages =        {4626-4641}
356	<	}
140	>	@article{Angelani98,
141	>	Author = {L. Angelani and G. Parisi and G. Ruocco and G. Viliani},
142	>	Journal = prl,
143	>	Number = 21,
144	>	Pages = {4648-4651},
145	>	Title = {Connected Network of Minima as a Model Glass: Long Time Dynamics},
146	>	Volume = 81,
147	>	Year = 1998}
148
149	<	@Article{Kob95b,
150	<	author =       {W. Kob and H.~C. Andersen},
151	<	title =        {Testing mode-coupling theory for a supercooled
152	<	binary Lennard-Jones mixtures. II. Intermediate
153	<	scattering function and dynamic susceptibility},
154	<	journal =      pre,
155	<	year =         1995,
156	<	volume =       52,
366	<	pages =        {4134-4153}
367	<	}
149	>	@article{Stillinger82,
150	>	Author = {F.~H. Stillinger and T.~A. Weber},
151	>	Journal = pra,
152	>	Number = 2,
153	>	Pages = {978-989},
154	>	Title = {Hidden structure in liquids},
155	>	Volume = 25,
156	>	Year = 1982}
157
158	<	@InProceedings{Gotze89,
159	<	author =       "W. G{\"{o}}tze",
160	<	title =        "Aspects of Structural Glass Transitions",
161	<	editor =       "J.~P. Hansen and D. Levesque and J. Zinn-Justin",
162	<	volume =       "I",
163	<	pages =        "287-503",
164	<	booktitle =    "Liquids, Freezing and Glass Transitions",
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1225	+	Date-Modified = {2006-02-15 10:12:57 -0500},
1226	+	Journal = {Physica A},
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1699	+	Title = {Molecular Dynamics Simulation of {\sc dppc} Bilayer in {\sc dmso}},
1700	+	Volume = 76,
1701	+	Year = 1999}
1702
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1704	<	author =       {G.~R. Fowles and G.~L. Cassiday},
1705	<	title =        {Analytical Mechanics},
1706	<	chapter =      10,
1707	<	publisher =    {Saunders College Publishing},
1708	<	address =      {},
1709	<	year =         1999,
1710	<	edition =      {6th}
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1705	>	Date-Modified = {2006-02-15 10:29:27 -0500},
1706	>	Journal = {J. Phys. Chem. B},
1707	>	Pages = {3696-3705},
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1709	>	Volume = 106,
1710	>	Year = 2002}
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1715	<	journal =      {Biophysical Journal},
1716	<	year =         2000,
1717	<	volume =       79,
1718	<	pages =        {3172-3192}
1719	<	}
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1714	>	Date-Modified = {2006-02-15 10:29:36 -0500},
1715	>	Journal = {Biophysical Journal},
1716	>	Pages = {1537-1553},
1717	>	Title = {On the truncation of Long-Range Electrostatic Interactions in {\sc dna}},
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1719	>	Year = 2000}
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1721	<	@Article{egberts88,
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1724	<	journal =      {J. Chem. Phys.},
1725	<	year =         1988,
1726	<	volume =       89,
1727	<	pages =        {3718-3732}
1728	<	}
1721	>	@article{Patra03,
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1723	>	Date-Modified = {2006-02-15 10:29:58 -0500},
1724	>	Journal = {Biophysical Journal},
1725	>	Pages = {3636-3645},
1726	>	Title = {Molecular Dynamics Simulations of Lipid Bilayers: Major Artifacts Due to Truncating Electrostatic Interactions},
1727	>	Volume = 84,
1728	>	Year = 2003}
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1730	<	@Article{Holz00,
1731	<	author =       {M. Holz and S.~R. Heil and A. Sacco},
1732	<	title =        {Temperature-dependent self-diffusion coefficients of
1733	<	water and six selected molecular liquids for calibration
1734	<	in accurate $^1${\sc h} {\sc nmr pfg} measurements},
1735	<	journal =      {Phys. Chem. Chem. Phys.},
1736	<	year =         2000,
1737	<	volume =       2,
2031	<	pages =        {4740-4742},
2032	<	}
1730	>	@article{Marrink04,
1731	>	Author = {S.~J. Marrink and A.~H. de~Vries and A.~E. Mark},
1732	>	Date-Modified = {2006-02-15 10:28:28 -0500},
1733	>	Journal = {J. Phys. Chem. B},
1734	>	Pages = {750-760},
1735	>	Title = {Coarse Grained Model for Semiquantitative Lipid Simulations},
1736	>	Volume = 108,
1737	>	Year = 2004}
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1741	<	title =        {An introduction to the molecular dynamics method and to orientational dynamics in liquid crystals},
1742	<	booktitle =    {The Molecular Dynamics of Liquid Crstals},
1743	<	pages =        {139-169},
1744	<	publisher =    {Kluwer Academic Publishers},
1745	<	year =         1994,
1746	<	editor =       {G.~R. Luckhurst and C.~A. Veracini},
2042	<	chapter =      6
2043	<	}
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1741	>	Date-Modified = {2006-02-15 10:08:20 -0500},
1742	>	Journal = {Journal of Computational Physics},
1743	>	Pages = {24-34},
1744	>	Title = {{\sc rattle}: A Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations},
1745	>	Volume = 52,
1746	>	Year = 1983}
1747
1748	+	@article{Hura00,
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1751	+	Journal = {J. Chem. Phys.},
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1753	+	Title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions},
1754	+	Volume = 113,
1755	+	Year = 2000}
1756
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1758	<	author =       {S. Melchionna and G. Ciccotti and B.~L. Holian},
1759	<	title =        {Hoover {\sc npt} dynamics for systems varying in shape and size},
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1761	<	year =         1993,
1762	<	volume =       78,
1763	<	pages =        {533-544}
1764	<	}
1757	>	@article{Ryckaert77,
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1759	>	Date-Modified = {2006-02-15 10:31:44 -0500},
1760	>	Journal = {Journal of Computational Physics},
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1764	>	Year = 1977}
1765	>
1766	>	@inbook{Fowles99,
1767	>	Author = {G.~R. Fowles and G.~L. Cassiday},
1768	>	Chapter = 10,
1769	>	Date-Modified = {2006-02-15 10:18:00 -0500},
1770	>	Edition = {6th},
1771	>	Publisher = {Saunders College Publishing},
1772	>	Title = {Analytical Mechanics},
1773	>	Year = 1999}
1774	>
1775	>	@article{Petrache00,
1776	>	Author = {H.~I. Petrache and S.~W. Dodd and M.~F. Brown},
1777	>	Date-Modified = {2006-02-15 10:30:24 -0500},
1778	>	Journal = {Biophysical Journal},
1779	>	Pages = {3172-3192},
1780	>	Title = {Area per Lipid and Acyl Length Distributions in Fluid Phosphatidylcholines Determined by $^2\text{H}$ {\sc nmr} Spectroscopy},
1781	>	Volume = 79,
1782	>	Year = 2000}
1783
1784	+	@article{Egberts88,
1785	+	Author = {E. Egberts and H.~J.~C. Berendsen},
1786	+	Date-Modified = {2006-02-15 10:16:43 -0500},
1787	+	Journal = {J. Chem. Phys.},
1788	+	Pages = {3718-3732},
1789	+	Title = {Molecular Dynamics Simulation of a smectic liquid crystal with atomic detail},
1790	+	Volume = 89,
1791	+	Year = 1988}
1792
1793	+	@article{Holz00,
1794	+	Author = {M. Holz and S.~R. Heil and A. Sacco},
1795	+	Journal = {Phys. Chem. Chem. Phys.},
1796	+	Pages = {4740-4742},
1797	+	Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1${\sc h} {\sc nmr pfg} measurements},
1798	+	Volume = 2,
1799	+	Year = 2000}
1800
1801	<	@Article{Fennell04,
1802	<	author =       {C.~J. Fennell and J.~D. Gezelter},
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1804	<	journal =      jcp,
1805	<	year =         2004,
1806	<	volume =       120,
1807	<	number =       19,
1808	<	pages =        {9175-9184}
1809	<	}
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1802	>	Author = {C. Zannoni},
1803	>	Booktitle = {The Molecular Dynamics of Liquid Crstals},
1804	>	Chapter = 6,
1805	>	Date-Modified = {2006-02-15 10:12:36 -0500},
1806	>	Editor = {G.~R. Luckhurst and C.~A. Veracini},
1807	>	Pages = {139-169},
1808	>	Publisher = {Kluwer Academic Publishers},
1809	>	Title = {An introduction to the molecular dynamics method and to orientational dynamics in liquid crystals},
1810	>	Year = 1994}
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1814	<	title =        {A coarse Grain Model for Phospholipid Simulations},
1815	<	journal =      {J. Phys. Chem. B},
1816	<	year =         2001,
1817	<	volume =       105,
1818	<	pages =        {4464-4470}
1819	<	}
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1813	>	Author = {S. Melchionna and G. Ciccotti and B.~L. Holian},
1814	>	Date-Modified = {2006-02-15 10:28:54 -0500},
1815	>	Journal = {Molecular Physics},
1816	>	Pages = {533-544},
1817	>	Title = {Hoover {\sc npt} dynamics for systems varying in shape and size},
1818	>	Volume = 78,
1819	>	Year = 1993}
1820
1821	+	@article{Fennell04,
1822	+	Author = {C.~J. Fennell and J.~D. Gezelter},
1823	+	Date-Modified = {2006-02-15 09:08:04 -0500},
1824	+	Journal = jcp,
1825	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_TempSSDs_04.pdf},
1826	+	Number = 19,
1827	+	Pages = {9175-9184},
1828	+	Title = {On the structural and transport properties of the soft sticky dipole(SSD) and related single point water models},
1829	+	Volume = 120,
1830	+	Year = 2004}
1831
1832	<	@Article{marrink03:vesicles,
1833	<	author =       {S.~J. Marrink and A.~E. Mark},
1834	<	title =        {Molecular Dynaimcs Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles},
1835	<	journal =      {J. Am. Chem. Soc.},
1836	<	year =         2003,
1837	<	volume =       125,
1838	<	pages =        {15233-15242}
1839	<	}
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1833	>	Author = {J.~C. Shelley andf M.~Y. Shelley and R.~C. Reeder and S. Bandyopadhyay and M.~L. Klein},
1834	>	Date-Modified = {2006-02-15 10:27:22 -0500},
1835	>	Journal = {J. Phys. Chem. B},
1836	>	Pages = {4464-4470},
1837	>	Title = {A Coarse Grain Model for Phospholipid Simulations},
1838	>	Volume = 105,
1839	>	Year = 2001}
1840
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1842	>	Author = {S.~J. Marrink and A.~E. Mark},
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1844	>	Journal = {J. Am. Chem. Soc.},
1845	>	Pages = {15233-15242},
1846	>	Title = {Molecular Dynaimcs Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles},
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1885		Year = {1995}}
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1891	+	Date-Modified = {2006-02-15 10:30:42 -0500},
1892	+	Editor = {J. Broughton and P. Bristowe and J. Newsam},
1893	+	Pages = 37,
1894	+	Publisher = {Materials Research Society},
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1898	+	Year = 1993}
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1900	<
1901	<	@InProceedings{Paradyn,
1902	<	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	<
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1900	>	@article{Voter95a,
1901	>	Author = {A.~F. Voter},
1902	>	Date-Modified = {2006-02-15 10:35:27 -0500},
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1904		Pages = {77},
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1906		Volume = {1},
1907		Year = {1995}}
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1910		Author = {H. Heller and H. Grubmuller and K. Schulten},
1911	+	Date-Modified = {2006-02-15 10:19:02 -0500},
1912		Journal = {Molecular Simulation},
1913		Pages = {133},
1914		Title = {Molecular dynamics simulation on a parallel computer},
1915		Volume = {5},
1916		Year = {1990}}
1917
1918	<	@Book{Fox88,
1919	<	author =       {G.~C. Fox and M.~A. Johnson and G.~A Lyzenga and S.~W. Otto and J.~K. Salmon and D.~W. Walker},
1920	<	title =        {Solving Promblems on Concurrent Processors},
1921	<	publisher =    {Prentice-Hall},
1922	<	year =         1988,
1923	<	volume =       {I},
1924	<	address =      {Englewood Cliffs, NJ}
2159	<	}
1918	>	@book{Fox88,
1919	>	Address = {Englewood Cliffs, NJ},
1920	>	Author = {G.~C. Fox and M.~A. Johnson and G.~A Lyzenga and S.~W. Otto and J.~K. Salmon and D.~W. Walker},
1921	>	Publisher = {Prentice-Hall},
1922	>	Title = {Solving Promblems on Concurrent Processors},
1923	>	Volume = {I},
1924	>	Year = 1988}
1925
1926	<	@Article{Gromacs,
1927	<	author =       {H.~J.~C. Berendsen, D. van~der~Spoel and R. van~Drunen},
1928	<	title =        {GROMACS: A message-passing parallel molecular dynamics implementation},
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1930	<	year =         1995,
1931	<	volume =       91,
1932	<	pages =        {43-56}
1933	<	}
1926	>	@article{Berendsen95,
1927	>	Author = {H.~J.~C. Berendsen and D. van~der~Spoel and R. van~Drunen},
1928	>	Date-Modified = {2006-02-15 10:20:47 -0500},
1929	>	Journal = {Comp. Phys. Comm.},
1930	>	Pages = {43-56},
1931	>	Title = {GROMACS: A message-passing parallel molecular dynamics implementation},
1932	>	Volume = 91,
1933	>	Year = 1995}
1934
1935	<	@Article{Gromacs3,
1936	<	author =       {E. Lindahl and B. Hess and D. van~der~Spoel},
1937	<	title =        {GROMACS 3.0: A package for molecular simulation and trajectory analysis},
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1936	>	Author = {E. Lindahl and B. Hess and D. van~der~Spoel},
1937	>	Date-Modified = {2006-02-15 10:25:51 -0500},
1938	>	Journal = {J. Mol. Mod.},
1939	>	Pages = {306-317},
1940	>	Title = {GROMACS 3.0: A package for molecular simulation and trajectory analysis},
1941	>	Volume = 7,
1942	>	Year = 2001}
1943
1944	<	@Article{DL_POLY,
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1950	>	Title = {DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package},
1951	>	Volume = 14,
1952	>	Year = 1996}
1953
1954	<	@Article{Tinker,
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1963
1964	<	@Article{Berendsen87,
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2209	<	author =       {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans},
2210	<	title =        {Simple Point Charge Water},
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2215	<	editor =       {B. Pullman},
2216	<	address =      {Dordrecht}
2217	<	}
1964	>	@article{Berendsen87,
1965	>	Author = {H.~J.~C. Berendsen and J.~R. Grigera and T.~P. Straatsma},
1966	>	Journal = jpc,
1967	>	Pages = {6269-6271},
1968	>	Title = {The Missing Term in Effective Pair Potentials},
1969	>	Volume = 91,
1970	>	Year = 1987}
1971
1972	+	@incollection{Berendsen81,
1973	+	Address = {Dordrecht},
1974	+	Author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans},
1975	+	Booktitle = {Intermolecular Forces},
1976	+	Editor = {B. Pullman},
1977	+	Pages = 331,
1978	+	Publisher = {Reidel},
1979	+	Title = {Simple Point Charge Water},
1980	+	Year = 1981}
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1986	<	year =         2000,
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1988	<	number =       20,
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1993	+	Date-Modified = {2006-03-05 12:37:31 -0500},
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1998	+	Volume = 26,
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