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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 2637 by chrisfen, Sun Mar 19 02:48:19 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 2006-03-18 21:00:37 -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,
270	<	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{Luty96,
49	>	Author = {B.~A. Luty and W.~F. {van~Gunsteren}},
50	>	Date-Added = {2006-03-18 20:59:19 -0500},
51	>	Date-Modified = {2006-03-18 21:00:33 -0500},
52	>	Journal = {J. Phys. Chem.},
53	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_PPPMElectrostaticCalculations_96.pdf},
54	>	Number = {7},
55	>	Pages = {2581-2587},
56	>	Title = {Calculating Electrostatic Interactions Using the Particle-Particle Particle-Mesh Method with Nonperiodic Long-Range Interactions},
57	>	Volume = {100},
58	>	Year = {1996}}
59
60	<	@Article{Stillinger95,
61	<	author =       {F.~H. Stillinger},
62	<	title =        {A Topographic View of Supercooled Liquids and Glass
63	<	Formation},
64	<	journal =      {Science},
65	<	year =         1995,
66	<	volume =       267,
67	<	pages =        {1935-1939}
68	<	}
60	>	@article{Rhee89,
61	>	Author = {Y.-J. Rhee and J.~W. Halley and J. Hautman and A. Rahman},
62	>	Date-Added = {2006-03-18 20:48:07 -0500},
63	>	Date-Modified = {2006-03-18 20:51:09 -0500},
64	>	Journal = {Phys. Rev. B},
65	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Rhee_finiteDimensionEwald_88.pdf},
66	>	Number = {1},
67	>	Pages = {36-42},
68	>	Title = {Ewald methods in molecular dynamics for systems of finite extent in one of three dimensions},
69	>	Volume = {40},
70	>	Year = {1989}}
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{Hunenberger99a,
73	>	Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
74	>	Date-Added = {2006-03-18 20:14:24 -0500},
75	>	Date-Modified = {2006-03-18 20:16:01 -0500},
76	>	Journal = {J. Chem. Phys.},
77	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Hunenberger_IonSolutionEwaldArtifacts_99.pdf},
78	>	Number = {4},
79	>	Pages = {1856-1872},
80	>	Title = {Ewald artifacts in computer simulations of ionic solvation and ion -- ion interaction: A continuum electrostatics study},
81	>	Volume = {110},
82	>	Year = {1999}}
83
84	<	@Article{Bembenek96,
85	<	author =       {S.~D. Bembenek and B.~B. Laird},
86	<	title =        {The role of localization in glasses and supercooled liquids},
87	<	journal =      jcp,
88	<	year =         1996,
89	<	volume =       104,
90	<	pages =        5199
91	<	}
84	>	@article{Roberts95,
85	>	Author = {J.~E. Roberts and J. Schnitker},
86	>	Date-Added = {2006-03-18 20:12:23 -0500},
87	>	Date-Modified = {2006-03-18 20:13:36 -0500},
88	>	Journal = {J. Phys. Chem.},
89	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Roberts_BoundryConditionsIonWater_95.pdf},
90	>	Pages = {1322-1331},
91	>	Title = {Boundary Conditions in Sumulations of Aqueous Ionic Solutions: A Systematic Study},
92	>	Volume = {99},
93	>	Year = {1995}}
94
95	<	@Article{Sun97,
96	<	author =       {X. Sun and W.~H. Miller},
97	<	title =        {Semiclassical initial value representation for
98	<	electronically nonadiabatic molecular dynamics},
99	<	journal =      jcp,
100	<	year =         1997,
101	<	volume =       106,
102	<	pages =        6346
103	<	}
95	>	@article{Roberts94,
96	>	Author = {J.~E. Roberts and J. Schnitker},
97	>	Date-Added = {2006-03-18 20:10:37 -0500},
98	>	Date-Modified = {2006-03-18 20:12:19 -0500},
99	>	Journal = {J. Chem. Phys.},
100	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Roberts_IonSolventEwaldProbs_94.pdf},
101	>	Number = {6},
102	>	Pages = {5024-5031},
103	>	Title = {How the unit cell surface charge distriubution affects the energetics of ion-solvent interactions in simulations},
104	>	Volume = {101},
105	>	Year = {1994}}
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{Yeh99,
108	>	Author = {I.-C. Yeh and M.~L. Berkowitz},
109	>	Date-Added = {2006-03-18 19:24:27 -0500},
110	>	Date-Modified = {2006-03-18 19:26:08 -0500},
111	>	Journal = {J. Chem. Phys.},
112	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Yeh_SlabCorrectionEwald_99.pdf},
113	>	Number = {7},
114	>	Pages = {3155-3162},
115	>	Title = {Ewald summation for systems with slab geometry},
116	>	Volume = {111},
117	>	Year = {1999}}
118
119	<	@Book{Warshel91,
120	<	author =       {Arieh Warshel},
121	<	title =        {Computer modeling of chemical reactions in enzymes
122	<	and solutions},
123	<	publisher =    {Wiley},
124	<	year =         1991,
125	<	address =      {New York}
126	<	}
119	>	@article{Parry76,
120	>	Author = {D.~E. Parry},
121	>	Date-Added = {2006-03-18 19:11:01 -0500},
122	>	Date-Modified = {2006-03-18 19:14:01 -0500},
123	>	Journal = {Surf. Sci.},
124	>	Pages = {195},
125	>	Title = {Errata: The electrostatic potential in the surface region of an ionic crystal},
126	>	Volume = {54},
127	>	Year = {1976}}
128
129	<	@Article{Vuilleumier97,
130	<	author =       {Rodolphe Vuilleumier and Daniel Borgis},
131	<	title =        {Molecular Dynamics of an excess proton in water
132	<	using a non-additive valence bond force field},
133	<	journal =      jpc,
134	<	year =         1997,
135	<	volume =       {in press}
136	<	}
129	>	@article{Parry75,
130	>	Author = {D.~E. Parry},
131	>	Date-Added = {2006-03-18 19:08:40 -0500},
132	>	Date-Modified = {2006-03-18 19:16:14 -0500},
133	>	Journal = {Surf. Sci.},
134	>	Pages = {433-440},
135	>	Title = {The electrostatic potential in the surface region of an ionic crystal},
136	>	Volume = {49},
137	>	Year = {1975}}
138
139	<	@Article{Kob95a,
140	<	author =       {W. Kob and H.~C. Andersen},
141	<	title =        {Testing mode-coupling theory for a supercooled
142	<	binary Lennard-Jones mixtures: The van Hove
143	<	corraltion function},
144	<	journal =      pre,
145	<	year =         1995,
146	<	volume =       51,
147	<	pages =        {4626-4641}
356	<	}
139	>	@article{deLeeuw79,
140	>	Author = {S.~W. {de Leeuw} and J.~W. Perram},
141	>	Date-Added = {2006-03-18 19:05:18 -0500},
142	>	Date-Modified = {2006-03-18 19:07:48 -0500},
143	>	Journal = {Mol. Phys.},
144	>	Pages = {1313-1327},
145	>	Title = {Electrostatic Lattice Sums for Semi-Infinite Lattices},
146	>	Volume = {37},
147	>	Year = {1979}}
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,
157	<	pages =        {4134-4153}
158	<	}
149	>	@article{Heyes77,
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1626	+	Pages = {248-252},
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2387	<	author =       {M.~A. Meineke and C.~F. Vardeman~II and T. Lin and C.~J. Fennell and J.~D. Gezelter},
2388	<	title =        {OOPSE: An Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
2389	<	journal =      {J. Comp. Chem.},
2390	<	year =         2005,
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2392	<	pages =        {252-271}
2393	<	}
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2387	>	Author = {L.~A. B\`{a}ez and P. Clancy},
2388	>	Journal = jcp,
2389	>	Number = 22,
2390	>	Pages = {9744-9755},
2391	>	Title = {Phase equilibria in extended simple point charge ice-water systems},
2392	>	Volume = 103,
2393	>	Year = 1995}
2394
2395	<	@Article{Baez95a,
2396	<	author =       {L.~A. B\`{a}ez and P. Clancy},
2397	<	title =        {Calculation of free energy for molecular crystals by thermodynamic integration},
2398	<	journal =      mp,
2399	<	year =         1995,
2400	<	volume =       86,
2401	<	number =       3,
2402	<	pages =        {385-396}
2248	<	}
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2396	>	Author = {E.~R. Davidson and K. Morokuma},
2397	>	Journal = jcp,
2398	>	Number = 8,
2399	>	Pages = {3741-3742},
2400	>	Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
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2402	>	Year = 1984}
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2404	<	@Article{Baez95b,
2405	<	author =       {L.~A. B\`{a}ez and P. Clancy},
2406	<	title =        {Phase equilibria in extended simple point charge ice-water systems},
2407	<	journal =      jcp,
2408	<	year =         1995,
2409	<	volume =       103,
2410	<	number =       22,
2411	<	pages =        {9744-9755}
2258	<	}
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2405	>	Author = {E. Sanz and C. Vega and J.~L.~F. Abascal and L.~G. MacDowell},
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2411	>	Year = 2004}
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2415	<	title =        {A proposed antiferroelectric structure for proton ordered ice Ih},
2416	<	journal =      jcp,
2417	<	year =         1984,
2418	<	volume =       81,
2419	<	number =       8,
2267	<	pages =        {3741-3742}
2268	<	}
2413	>	@article{Onsager36,
2414	>	Author = {L. Onsager},
2415	>	Journal = jacs,
2416	>	Pages = {1486-1493},
2417	>	Title = {Electric Moments of Molecules in Liquids},
2418	>	Volume = 58,
2419	>	Year = 1936}
2420
2421	<	@Article{Sanz04,
2422	<	author =       {E. Sanz and C. Vega and J.~L.~F. Abascal and L.~G. MacDowell},
2423	<	title =        {Phase Diagram of Water from Computer Simulation},
2424	<	journal =      prl,
2425	<	year =         2004,
2426	<	volume =       92,
2427	<	number =       25,
2277	<	pages =        255701
2278	<	}
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2422	>	Author = {M. Matsumoto and S. Saito and I. Ohimine},
2423	>	Journal = {Nature (London)},
2424	>	Pages = {409-413},
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2427	>	Year = 2002}
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2429	<	@Article{Onsager36,
2430	<	author =       {L. Onsager},
2431	<	title =        {Electric Moments of Molecules in Liquids},
2432	<	journal =      jacs,
2433	<	year =         1936,
2434	<	volume =       58,
2435	<	pages =        {1486-1493}
2436	<	}
2429	>	@article{Yamada02,
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2431	>	Journal = prl,
2432	>	Number = 19,
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2434	>	Title = {Interplay between Time-Temperature Transformation and the Liquid-Liquid Phase Transition in Water},
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2440	<	title =        {Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing},
2441	<	journal =      {Nature (London)},
2442	<	year =         2002,
2443	<	volume =       416,
2444	<	pages =        {409-413},
2296	<	}
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2439	>	Author = {A. Wallqvist and B.~J. Berne},
2440	>	Journal = jpc,
2441	>	Pages = {2885-2892},
2442	>	Title = {Molecular Dynamics Study of the Dependence of Water Solvation Free Energy on Solute Curvature and Surface Area},
2443	>	Volume = 99,
2444	>	Year = 1995}
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2446	<	@Article{Yamada02,
2447	<	author =       {M. Yamada and S. Mossa and H.~E. Stanley and F. Sciortino},
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2449	<	journal =      prl,
2450	<	year =         2002,
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2452	<	number =       19,
2453	<	pages =        195701,
2306	<	}
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2450	>	Pages = {55-61},
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2457	<	title =        {Molecular Dynamics Study of the Dependence of Water Solvation Free Energy on Solute Curvature and Surface Area},
2458	<	journal =      jpc,
2459	<	year =         1995,
2460	<	volume =       99,
2461	<	pages =        {2885-2892}
2462	<	}
2455	>	@article{Gao00,
2456	>	Author = {G.~T. Gao and X.~C. Zeng and H. Tanaka},
2457	>	Journal = jcp,
2458	>	Number = 19,
2459	>	Pages = {8534-8538},
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2462	>	Year = 2000}
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2466	<	title =        {Free energy calculations on systems of rigid molecules: An application to the TIP4P model of H$_2$O},
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2468	<	year =         1999,
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2470	<	number =       1,
2471	<	pages =        {55-61}
2325	<	}
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2465	>	Author = {A. Bizid and L. Bosio and A. Defrain and M. Oumezzine},
2466	>	Journal = jcp,
2467	>	Number = 4,
2468	>	Pages = {2225-2230},
2469	>	Title = {Structure of high-density amorphous water. I. X-ray diffraction study},
2470	>	Volume = 87,
2471	>	Year = 1987}
2472
2473	<	@Article{Gao00,
2474	<	author =       {G.~T. Gao and X.~C. Zeng and H. Tanaka},
2475	<	title =        {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water},
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2477	<	year =         2000,
2478	<	volume =       112,
2479	<	number =       19,
2480	<	pages =        {8534-8538}
2335	<	}
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2474	>	Author = {J. Quintana and A.~D.~J. Haymet},
2475	>	Journal = cpl,
2476	>	Number = 3,
2477	>	Pages = {273-277},
2478	>	Title = {The chemical potential of water: molecular dynamics computer simulation of the CF and SPC models},
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2480	>	Year = 1992}
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2482	<	@Article{Bizid87,
2483	<	author =       {A. Bizid and L. Bosio and A. Defrain and M. Oumezzine},
2484	<	title =        {Structure of high-density amorphous water. I. X-ray diffraction study},
2485	<	journal =      jcp,
2486	<	year =         1987,
2487	<	volume =       87,
2488	<	number =       4,
2344	<	pages =        {2225-2230}
2345	<	}
2482	>	@article{Mezei92,
2483	>	Author = {M. Mezei},
2484	>	Journal = {J. Comput. Chem.},
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2487	>	Volume = 13,
2488	>	Year = 1992}
2489
2490	<	@Article{Quintana92,
2491	<	author =       {J. Quintana and A.~D.~J. Haymet},
2492	<	title =        {The chemical potential of water: molecular dynamics computer simulation of the CF and SPC models},
2493	<	journal =      cpl,
2494	<	year =         1992,
2495	<	volume =       189,
2496	<	number =       3,
2354	<	pages =        {273-277}
2355	<	}
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2491	>	Author = {B. Widom},
2492	>	Journal = jcp,
2493	>	Pages = 2808,
2494	>	Title = {Particle insertion},
2495	>	Volume = 39,
2496	>	Year = 1963}
2497
2498	+	@article{Clancy94,
2499	+	Author = {L.~A. B\'{a}ez and P. Clancy},
2500	+	Journal = jcp,
2501	+	Number = 11,
2502	+	Pages = {9837-9840},
2503	+	Title = {Existence of a density maximum in extended simple point charge water},
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2505	+	Year = 1994}
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2507	<	@Article{Mezei92,
2508	<	author =       {M. Mezei},
2509	<	title =        {Don't Remember},
2510	<	journal =      {J. Comput. Chem.},
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2512	<	volume =       13,
2513	<	pages =        651
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2508	>	Author = {W.~L. Jorgensen and C. Jenson},
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2511	>	Pages = {1179-1186},
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2513	>	Volume = 19,
2514	>	Year = 1998}
2515
2516	+	@article{Mahoney01,
2517	+	Author = {M.~W. Mahoney and W.~L. Jorgensen},
2518	+	Journal = jcp,
2519	+	Number = 1,
2520	+	Pages = {363-366},
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2525	<	@Article{Widom63,
2526	<	author =       {B. Widom},
2527	<	title =        {Particle insertion},
2528	<	journal =      jcp,
2529	<	year =         1963,
2530	<	volume =       39,
2531	<	pages =        2808
2532	<	}
2525	>	@article{Rahman75,
2526	>	Author = {A. Rahman and F.~H. Stillinger and H.~L. Lemberg},
2527	>	Journal = jcp,
2528	>	Number = 12,
2529	>	Pages = {5223-5230},
2530	>	Title = {Study of a central force model for liquid water by molecular dynamics},
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2532	>	Year = 1975}
2533
2534	<	@Article{Clancy94,
2535	<	author =       {L.~A. B\'{a}ez and P. Clancy},
2536	<	title =        {Existence of a density maximum in extended simple point
2537	<	charge water},
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2540	<	volume =       101,
2541	<	number =       11,
2542	<	pages =        {9837-9840}
2386	<	}
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2545	<	author =       {W.~L. Jorgensen and C. Jenson},
2546	<	title =        {Temperature Dependence of TIP3P, SPC, and TIP4P Water
2547	<	from NPT Monte Carlo Simulations: Seeking Temperatures
2548	<	of Maximum Density},
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2550	<	year =         1998,
2395	<	volume =       19,
2396	<	number =       10,
2397	<	pages =        {1179-1186}
2398	<	}
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2545	>	Author = {K.~R. Gallagher and K.~A. Sharp},
2546	>	Journal = jacs,
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2553	<	author =       {M.~W. Mahoney and W.~L. Jorgensen},
2554	<	title =        {Diffusion constant of the TIP5P model of liquid water},
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2556	<	year =         2001,
2557	<	volume =       114,
2558	<	number =       1,
2559	<	pages =        {363-366},
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2553	>	Author = {D. Frenkel and A.~J.~C. Ladd},
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2555	>	Number = 7,
2556	>	Pages = {3188-3193},
2557	>	Title = {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres},
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2559	>	Year = 1984}
2560
2561	<	@Article{Rahman75,
2562	<	author =       {A. Rahman and F.~H. Stillinger and H.~L. Lemberg},
2563	<	title =        {Study of a central force model for liquid water by
2564	<	molecular dynamics},
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2566	<	year =         1975,
2567	<	volume =       63,
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2418	<	pages =        {5223-5230}
2419	<	}
2561	>	@article{Hermens88,
2562	>	Author = {J. Hermans and A. Pathiaseril and A. Anderson},
2563	>	Journal = jacs,
2564	>	Pages = {5982-5986},
2565	>	Title = {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models},
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2567	>	Year = 1988}
2568
2569	<	@Article{Berendsen98,
2570	<	author =       {D. van der Spoel and P.~J. van Maaren and H.~J.~C. Berendsen},
2571	<	title =        {A systematc study of water models for molecular
2572	<	simulation: Derivation of water models optimized for
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2570	>	Author = {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd},
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2572	>	Number = 12,
2573	>	Pages = {7570-7575},
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2578	<	@Article{Gallagher03,
2579	<	author =       {K.~R. Gallagher and K.~A. Sharp},
2580	<	title =        {A New Angle on Heat Capacity Changes in Hydrophobic Solvation},
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2582	<	year =         2003,
2583	<	volume =       125,
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2440	<	}
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2579	>	Author = {H. Li and R. Helling and C. Tang and N. Wingreen},
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2586	<	@Article{Frenkel84,
2587	<	author =       {D. Frenkel and A.~J.~C. Ladd},
2588	<	title =        {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres},
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2590	<	year =         1984,
2591	<	volume =       81,
2592	<	number =       7,
2593	<	pages =        {3188-3193}
2450	<	}
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2587	>	Author = {F.~H. Stillinger and A. Rahman},
2588	>	Journal = jcp,
2589	>	Number = 4,
2590	>	Pages = {1545-1557},
2591	>	Title = {Improved simulation of liquid water by molecular dynamics},
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2593	>	Year = 1974}
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2595	<	@Article{Hermens88,
2596	<	author =       {J. Hermans and A. Pathiaseril and A. Anderson},
2597	<	title =        {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models},
2598	<	journal =      jacs,
2599	<	year =         1988,
2600	<	volume =       110,
2601	<	pages =        {5982-5986}
2602	<	}
2595	>	@article{Caldwell95,
2596	>	Author = {J.~W. Caldwell and P.~A. Kollman},
2597	>	Journal = jpc,
2598	>	Number = 16,
2599	>	Pages = {6208-6219},
2600	>	Title = {Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and $N$-Methylacetamide},
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2602	>	Year = 1995}
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2604	<	@Article{Meijer90,
2605	<	author =       {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd},
2606	<	title =        {Location of melting point at 300 K of nitrogen by Monte Carlo simulation},
2607	<	journal =      jcp,
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2611	<	pages =        {7570-7575}
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2606	>	Date-Modified = {2006-02-15 10:34:30 -0500},
2607	>	Journal = jcp,
2608	>	Number = 6,
2609	>	Pages = {2843-2848},
2610	>	Title = {A two-dimensional model of water: Therory and computer simulations},
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2614	<	@Article{Li96,
2615	<	author =       {H. Li and R. Helling and C. Tang and N. Wingreen},
2616	<	title =        {Emergence of Preferred Structures in a Simple Model of Protein Folding},
2617	<	journal =      {Science},
2618	<	year =         1996,
2619	<	volume =       273,
2620	<	pages =        {666-669}
2621	<	}
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2480	<	@Article{Stillinger74,
2481	<	author =       {F.~H. Stillinger and A. Rahman},
2482	<	title =        {Improved simulation of liquid water by molecular dynamics},
2483	<	journal =      jcp,
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2485	<	volume =       60,
2486	<	number =       4,
2487	<	pages =        {1545-1557}
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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},
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2502	<	title =        {A two-dimensional model of water: Therory and computer simulations},
2503	<	journal =      jcp,
2504	<	year =         2000,
2505	<	volume =       112,
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2507	<	pages =        {2843-2848}
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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	<
2614	>	@article{Yang04,
2615	>	Author = {Jianjun Yang and Sheng Meng and L.~F. Xu and E.~G. Wang},
2616	>	Journal = prl,
2617	>	Number = 14,
2618	>	Pages = 146102,
2619	>	Title = {Ice Tessellation on a Hydroxylated Silica Surface},
2620	>	Volume = 92,
2621	>	Year = 2004}

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