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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 2629 by chrisfen, Thu Mar 16 03:48:32 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 2006-03-15 21:43:19 -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{Barker73,
49	>	Author = {J.~A. Barker and R.~O. Watts },
50	>	Date-Added = {2006-03-15 18:58:17 -0500},
51	>	Date-Modified = {2006-03-15 21:17:31 -0500},
52	>	Journal = {Mol. Phys.},
53	>	Pages = {789=792},
54	>	Title = {Monte Carlo studies of the dielectric properties of water-like models},
55	>	Volume = {26},
56	>	Year = {1973}}
57
58	<	@Article{Zwanzig88,
59	<	author =       {R. Zwanzig},
60	<	title =        {Diffusion in rough potential},
61	<	journal =      {Proc. Natl. Acad. Sci. USA},
62	<	year =         1988,
63	<	volume =       85,
64	<	pages =        2029
65	<	}
58	>	@article{Adams79,
59	>	Author = {D.~J. Adams and E.~M. Adams and G.~J. Hills},
60	>	Date-Added = {2006-03-15 17:46:36 -0500},
61	>	Date-Modified = {2006-03-15 17:48:04 -0500},
62	>	Journal = {Mol. Phys.},
63	>	Number = {2},
64	>	Pages = {387-400},
65	>	Title = {The computer simulation of polar liquids},
66	>	Volume = {38},
67	>	Year = {1979}}
68
69	<	@Article{Stillinger95,
70	<	author =       {F.~H. Stillinger},
71	<	title =        {A Topographic View of Supercooled Liquids and Glass
72	<	Formation},
73	<	journal =      {Science},
74	<	year =         1995,
75	<	volume =       267,
76	<	pages =        {1935-1939}
77	<	}
69	>	@article{Rahman71,
70	>	Author = {A. Rahman and F.~H. Stillinger},
71	>	Date-Added = {2006-03-15 17:04:53 -0500},
72	>	Date-Modified = {2006-03-15 17:07:29 -0500},
73	>	Journal = {J. Chem. Phys.},
74	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Rahman_MDWater_71.pdf},
75	>	Month = {October},
76	>	Number = {7},
77	>	Pages = {3336-3359},
78	>	Title = {Molecular Dynamics Study of Liquid Water},
79	>	Volume = {55},
80	>	Year = {1971}}
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{Andrea83,
83	>	Author = {T.~A. Andrea and W.~C. Swope and H.~C. Andersen},
84	>	Date-Added = {2006-03-15 15:16:12 -0500},
85	>	Date-Modified = {2006-03-15 15:18:10 -0500},
86	>	Journal = {J. Chem. Phys.},
87	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Andrea_LongRangeForcesInWater_83.pdf},
88	>	Number = {9},
89	>	Pages = {4576-4584},
90	>	Title = {The role of long ranged forces in determining the structure and properties of liquid water},
91	>	Volume = {79},
92	>	Year = {1983}}
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{Brush66,
95	>	Author = {S.~G. Brush and H.~L. Sahlin and E. Teller},
96	>	Date-Added = {2006-03-13 16:55:39 -0500},
97	>	Date-Modified = {2006-03-13 17:01:15 -0500},
98	>	Journal = {J. Chem. Phys.},
99	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Brush_MCEwaldApplication_66.pdf},
100	>	Month = {September},
101	>	Number = {6},
102	>	Pages = {2102-2118},
103	>	Title = {Monte Carlo Study of a One-Component Plasma. I},
104	>	Volume = {45},
105	>	Year = {1966}}
106
107	<	@Article{Sun97,
108	<	author =       {X. Sun and W.~H. Miller},
109	<	title =        {Semiclassical initial value representation for
110	<	electronically nonadiabatic molecular dynamics},
111	<	journal =      jcp,
112	<	year =         1997,
113	<	volume =       106,
114	<	pages =        6346
317	<	}
107	>	@article{Ewald21,
108	>	Author = {P.~P. Ewald},
109	>	Date-Added = {2006-03-13 13:32:04 -0500},
110	>	Date-Modified = {2006-03-13 13:32:55 -0500},
111	>	Journal = {Ann. Physik},
112	>	Pages = {253},
113	>	Volume = {64},
114	>	Year = {1921}}
115
116	<	@Article{Spath96,
117	<	author =       {B.~W. Spath and W.~H. Miller},
118	<	title =        {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION
119	<	PROBABILITIES},
120	<	journal =      jcp,
121	<	year =         1996,
122	<	volume =       104,
123	<	pages =        95
124	<	}
116	>	@article{Jones56,
117	>	Author = {R.~E. Jones and D.~H. Templeton},
118	>	Date-Added = {2006-03-13 13:25:58 -0500},
119	>	Date-Modified = {2006-03-13 13:27:15 -0500},
120	>	Journal = {J. Chem. Phys.},
121	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Jones_ChargeShapeFunctions_56.pdf},
122	>	Number = {5},
123	>	Pages = {1062-1063},
124	>	Title = {Optimum Atomic Shape for Bertaut Series},
125	>	Volume = {25},
126	>	Year = {1956}}
127
128	<	@Book{Warshel91,
129	<	author =       {Arieh Warshel},
130	<	title =        {Computer modeling of chemical reactions in enzymes
131	<	and solutions},
132	<	publisher =    {Wiley},
133	<	year =         1991,
134	<	address =      {New York}
135	<	}
128	>	@article{Heyes81,
129	>	Author = {D.~M. Heyes},
130	>	Date-Added = {2006-03-13 13:12:45 -0500},
131	>	Date-Modified = {2006-03-13 13:14:27 -0500},
132	>	Journal = {J. Chem. Phys.},
133	>	Keywords = {Empty Keywords},
134	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Heyes_CoulombChargeSpreading_81.pdf},
135	>	Number = {3},
136	>	Pages = {1924-1929},
137	>	Title = {Electrostatic potentials and fields in infinite point charge lattices},
138	>	Volume = {74},
139	>	Year = {1981}}
140
141	<	@Article{Vuilleumier97,
142	<	author =       {Rodolphe Vuilleumier and Daniel Borgis},
143	<	title =        {Molecular Dynamics of an excess proton in water
144	<	using a non-additive valence bond force field},
145	<	journal =      jpc,
146	<	year =         1997,
147	<	volume =       {in press}
148	<	}
141	>	@article{Steinbach94,
142	>	Author = {P.~J. Steinbach and B.~R. Brooks},
143	>	Date-Added = {2006-03-12 19:26:45 -0500},
144	>	Date-Modified = {2006-03-12 19:29:43 -0500},
145	>	Doi = {10.1002/jcc.540150702},
146	>	Journal = {J. Comput. Chem.},
147	>	Number = {7},
148	>	Pages = {667-683},
149	>	Title = {New spherical-cutoff methods for long-range forces in macromolecular simulation},
150	>	Volume = {15},
151	>	Year = {1994}}
152
153	<	@Article{Kob95a,
154	<	author =       {W. Kob and H.~C. Andersen},
155	<	title =        {Testing mode-coupling theory for a supercooled
156	<	binary Lennard-Jones mixtures: The van Hove
157	<	corraltion function},
158	<	journal =      pre,
159	<	year =         1995,
160	<	volume =       51,
161	<	pages =        {4626-4641}
162	<	}
153	>	@article{deLeeuw80,
154	>	Author = {S.~W. {de Leeuw} and J.~W. Perram and E.~R. Smith},
155	>	Date-Added = {2006-03-07 10:26:31 -0500},
156	>	Date-Modified = {2006-03-07 10:30:11 -0500},
157	>	Journal = {Proc. R. Soc. London Ser. A},
158	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/deLeeuw_EwaldSum_80.pdf},
159	>	Number = {1752},
160	>	Pages = {27-56},
161	>	Title = {Simulation of Electostatic Systems in Periodic Boundary Conditions. I. Lattice Sums and Dielectric Constants},
162	>	Volume = {373},
163	>	Year = {1980}}
164
165	<	@Article{Kob95b,
166	<	author =       {W. Kob and H.~C. Andersen},
167	<	title =        {Testing mode-coupling theory for a supercooled
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1786	+	Author = {S.~J. Marrink and D.~P. Teileman},
1787	+	Date-Modified = {2006-02-15 10:28:20 -0500},
1788	+	Journal = {Biophysical Journal},
1789	+	Pages = {2386-2392},
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1791	+	Volume = 83,
1792	+	Year = 2002}
1793
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1795	<	author =       {S.~J. Marrink and A.~E. Mark},
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1933	>	Journal = {Molecular Physics},
1934	>	Pages = {533-544},
1935	>	Title = {Hoover {\sc npt} dynamics for systems varying in shape and size},
1936	>	Volume = 78,
1937	>	Year = 1993}
1938	>
1939	>	@article{Fennell04,
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1941	>	Date-Modified = {2006-02-15 09:08:04 -0500},
1942	>	Journal = jcp,
1943	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_TempSSDs_04.pdf},
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1945	>	Pages = {9175-9184},
1946	>	Title = {On the structural and transport properties of the soft sticky dipole(SSD) and related single point water models},
1947	>	Volume = 120,
1948	>	Year = 2004}
1949	>
1950	>	@article{Klein01,
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1954	>	Pages = {4464-4470},
1955	>	Title = {A Coarse Grain Model for Phospholipid Simulations},
1956	>	Volume = 105,
1957	>	Year = 2001}
1958	>
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1960	>	Author = {S.~J. Marrink and A.~E. Mark},
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2000		Pages = {15-25},
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2002		Volume = {27},
2003		Year = {1995}}
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2126	<	booktitle =    {Materials Theory and Modelling},
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2130	<	volume =       291,
2131	<	series =       {MRS Proceedings},
2132	<	address =      {Pittsburgh, PA},
2133	<	publisher =    {Materials Research Society}
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2039	<	publisher =    {Prentice-Hall},
2040	<	year =         1988,
2041	<	volume =       {I},
2042	<	address =      {Englewood Cliffs, NJ}
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2037	>	Address = {Englewood Cliffs, NJ},
2038	>	Author = {G.~C. Fox and M.~A. Johnson and G.~A Lyzenga and S.~W. Otto and J.~K. Salmon and D.~W. Walker},
2039	>	Publisher = {Prentice-Hall},
2040	>	Title = {Solving Promblems on Concurrent Processors},
2041	>	Volume = {I},
2042	>	Year = 1988}
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2046	<	title =        {GROMACS: A message-passing parallel molecular dynamics implementation},
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2049	<	volume =       91,
2050	<	pages =        {43-56}
2051	<	}
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2046	>	Date-Modified = {2006-02-15 10:20:47 -0500},
2047	>	Journal = {Comp. Phys. Comm.},
2048	>	Pages = {43-56},
2049	>	Title = {GROMACS: A message-passing parallel molecular dynamics implementation},
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2051	>	Year = 1995}
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2055	>	Date-Modified = {2006-02-15 10:25:51 -0500},
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2057	>	Pages = {306-317},
2058	>	Title = {GROMACS 3.0: A package for molecular simulation and trajectory analysis},
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2064	<	title =        {AN EFFICIENT NEWTON-LIKE METHOD FOR MOLECULAR MECHANICS ENERGY MINIMIZATION OF LARGE MOLECULES},
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2067	<	volume =       8,
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2068	>	Title = {DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package},
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2088	<	year =         1981,
2215	<	editor =       {B. Pullman},
2216	<	address =      {Dordrecht}
2217	<	}
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2085	>	Pages = {6269-6271},
2086	>	Title = {The Missing Term in Effective Pair Potentials},
2087	>	Volume = 91,
2088	>	Year = 1987}
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2090	+	@incollection{Berendsen81,
2091	+	Address = {Dordrecht},
2092	+	Author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans},
2093	+	Booktitle = {Intermolecular Forces},
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2097	+	Title = {Simple Point Charge Water},
2098	+	Year = 1981}
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2290	<	year =         2001,
2291	<	volume =       114,
2292	<	number =       1,
2407	<	pages =        {363-366},
2408	<	}
2286	>	@article{Gallagher03,
2287	>	Author = {K.~R. Gallagher and K.~A. Sharp},
2288	>	Journal = jacs,
2289	>	Pages = 9853,
2290	>	Title = {A New Angle on Heat Capacity Changes in Hydrophobic Solvation},
2291	>	Volume = 125,
2292	>	Year = 2003}
2293
2294	<	@Article{Rahman75,
2295	<	author =       {A. Rahman and F.~H. Stillinger and H.~L. Lemberg},
2296	<	title =        {Study of a central force model for liquid water by
2297	<	molecular dynamics},
2298	<	journal =      jcp,
2299	<	year =         1975,
2300	<	volume =       63,
2301	<	number =       12,
2418	<	pages =        {5223-5230}
2419	<	}
2294	>	@article{Frenkel84,
2295	>	Author = {D. Frenkel and A.~J.~C. Ladd},
2296	>	Journal = jcp,
2297	>	Number = 7,
2298	>	Pages = {3188-3193},
2299	>	Title = {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres},
2300	>	Volume = 81,
2301	>	Year = 1984}
2302
2303	<	@Article{Berendsen98,
2304	<	author =       {D. van der Spoel and P.~J. van Maaren and H.~J.~C. Berendsen},
2305	<	title =        {A systematc study of water models for molecular
2306	<	simulation: Derivation of water models optimized for
2307	<	use with a reaction field},
2308	<	journal =      jcp,
2309	<	year =         1998,
2428	<	volume =       108,
2429	<	number =       24,
2430	<	pages =        {10220-10230}
2431	<	}
2303	>	@article{Hermens88,
2304	>	Author = {J. Hermans and A. Pathiaseril and A. Anderson},
2305	>	Journal = jacs,
2306	>	Pages = {5982-5986},
2307	>	Title = {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models},
2308	>	Volume = 110,
2309	>	Year = 1988}
2310
2311	<	@Article{Gallagher03,
2312	<	author =       {K.~R. Gallagher and K.~A. Sharp},
2313	<	title =        {A New Angle on Heat Capacity Changes in Hydrophobic Solvation},
2314	<	journal =      jacs,
2315	<	year =         2003,
2316	<	volume =       125,
2317	<	pages =        9853
2318	<	}
2311	>	@article{Meijer90,
2312	>	Author = {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd},
2313	>	Journal = jcp,
2314	>	Number = 12,
2315	>	Pages = {7570-7575},
2316	>	Title = {Location of melting point at 300 K of nitrogen by Monte Carlo simulation},
2317	>	Volume = 92,
2318	>	Year = 1990}
2319
2320	<	@Article{Frenkel84,
2321	<	author =       {D. Frenkel and A.~J.~C. Ladd},
2322	<	title =        {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres},
2323	<	journal =      jcp,
2324	<	year =         1984,
2325	<	volume =       81,
2326	<	number =       7,
2449	<	pages =        {3188-3193}
2450	<	}
2320	>	@article{Li96,
2321	>	Author = {H. Li and R. Helling and C. Tang and N. Wingreen},
2322	>	Journal = {Science},
2323	>	Pages = {666-669},
2324	>	Title = {Emergence of Preferred Structures in a Simple Model of Protein Folding},
2325	>	Volume = 273,
2326	>	Year = 1996}
2327
2328	<	@Article{Hermens88,
2329	<	author =       {J. Hermans and A. Pathiaseril and A. Anderson},
2330	<	title =        {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models},
2331	<	journal =      jacs,
2332	<	year =         1988,
2333	<	volume =       110,
2334	<	pages =        {5982-5986}
2335	<	}
2328	>	@article{Stillinger74,
2329	>	Author = {F.~H. Stillinger and A. Rahman},
2330	>	Journal = jcp,
2331	>	Number = 4,
2332	>	Pages = {1545-1557},
2333	>	Title = {Improved simulation of liquid water by molecular dynamics},
2334	>	Volume = 60,
2335	>	Year = 1974}
2336
2337	<	@Article{Meijer90,
2338	<	author =       {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd},
2339	<	title =        {Location of melting point at 300 K of nitrogen by Monte Carlo simulation},
2340	<	journal =      jcp,
2341	<	year =         1990,
2342	<	volume =       92,
2343	<	number =       12,
2344	<	pages =        {7570-7575}
2469	<	}
2337	>	@article{Caldwell95,
2338	>	Author = {J.~W. Caldwell and P.~A. Kollman},
2339	>	Journal = jpc,
2340	>	Number = 16,
2341	>	Pages = {6208-6219},
2342	>	Title = {Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and $N$-Methylacetamide},
2343	>	Volume = 99,
2344	>	Year = 1995}
2345
2346	<	@Article{Li96,
2347	<	author =       {H. Li and R. Helling and C. Tang and N. Wingreen},
2348	<	title =        {Emergence of Preferred Structures in a Simple Model of Protein Folding},
2349	<	journal =      {Science},
2350	<	year =         1996,
2351	<	volume =       273,
2352	<	pages =        {666-669}
2353	<	}
2346	>	@article{Urbic00,
2347	>	Author = {T. Urbi\v{c} and V. Vlachy and Y.~V. Kalyuzhnyi and N.~T. Southall and K.~A. Dill},
2348	>	Date-Modified = {2006-02-15 10:34:30 -0500},
2349	>	Journal = jcp,
2350	>	Number = 6,
2351	>	Pages = {2843-2848},
2352	>	Title = {A two-dimensional model of water: Therory and computer simulations},
2353	>	Volume = 112,
2354	>	Year = 2000}
2355
2356	<	@Article{Stillinger74,
2357	<	author =       {F.~H. Stillinger and A. Rahman},
2358	<	title =        {Improved simulation of liquid water by molecular dynamics},
2359	<	journal =      jcp,
2360	<	year =         1974,
2361	<	volume =       60,
2362	<	number =       4,
2363	<	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	<
2356	>	@article{Yang04,
2357	>	Author = {Jianjun Yang and Sheng Meng and L.~F. Xu and E.~G. Wang},
2358	>	Journal = prl,
2359	>	Number = 14,
2360	>	Pages = 146102,
2361	>	Title = {Ice Tessellation on a Hydroxylated Silica Surface},
2362	>	Volume = 92,
2363	>	Year = 2004}

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