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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 2636 by chrisfen, Sat Mar 18 05:31:17 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 2006-03-17 18:29:44 -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	<
269	<	@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{Sagui99,
49	>	Author = {C. Sagui and T.~A. Darden},
50	>	Date-Added = {2006-03-17 18:27:01 -0500},
51	>	Date-Modified = {2006-03-17 18:29:36 -0500},
52	>	Journal = {Annu. Rev. Biophys. Biomol. Struct.},
53	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/toCite/Darden_electrostaticInBiomolecules_99.pdf},
54	>	Pages = {155-179},
55	>	Title = {Molecular Dynamics Simulations of Biomolecules: Long-Range Electrostatic Effects},
56	>	Volume = {28},
57	>	Year = {1999}}
58
59	<	@Article{Stillinger95,
60	<	author =       {F.~H. Stillinger},
61	<	title =        {A Topographic View of Supercooled Liquids and Glass
62	<	Formation},
63	<	journal =      {Science},
64	<	year =         1995,
65	<	volume =       267,
66	<	pages =        {1935-1939}
67	<	}
59	>	@article{Perram88,
60	>	Author = {J.~W. Perram and H.~G. Petersen and S.~W. {de Leeuw}},
61	>	Date-Added = {2006-03-17 13:42:04 -0500},
62	>	Date-Modified = {2006-03-17 13:59:01 -0500},
63	>	Journal = {Mol. Phys.},
64	>	Pages = {875-893},
65	>	Title = {An algorithm for the simulation of condensed matter that grows as the 3/2 power of the number of particles},
66	>	Volume = {65},
67	>	Year = {1988}}
68
69	<	@InCollection{Angell85,
70	<	author =       {C.~A. Angell},
71	<	title =        {unknown},
72	<	booktitle =    {Relaxations in Complex Systems},
73	<	publisher =    {National Technical Information Service,
74	<	U.S. Department of Commerce},
75	<	year =         1985,
76	<	editor =       {K.~Ngai and G.~B. Wright},
77	<	address =      {Springfield, VA},
297	<	pages =        1
298	<	}
69	>	@article{Woodcock71,
70	>	Author = {L.~V. Woodcock and K. Singer},
71	>	Date-Added = {2006-03-17 11:14:17 -0500},
72	>	Date-Modified = {2006-03-17 11:16:52 -0500},
73	>	Journal = {Trans. Faraday Soc.},
74	>	Pages = {12-30},
75	>	Title = {Thermodynamic and Structural Properties of Liquid Ionic Salts Obtained by Monte Carlo Computation},
76	>	Volume = {67},
77	>	Year = {1971}}
78
79	<	@Article{Bembenek96,
80	<	author =       {S.~D. Bembenek and B.~B. Laird},
81	<	title =        {The role of localization in glasses and supercooled liquids},
82	<	journal =      jcp,
83	<	year =         1996,
84	<	volume =       104,
85	<	pages =        5199
86	<	}
79	>	@article{Smith81,
80	>	Author = {E.~R. Smith},
81	>	Date-Added = {2006-03-16 13:47:17 -0500},
82	>	Date-Modified = {2006-03-16 13:48:34 -0500},
83	>	Journal = {Proc. R. Soc. London Ser. A},
84	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Smith_ElectrostaticEnergyInIonicCrystals_81.pdf},
85	>	Pages = {475-505},
86	>	Title = {Electrostatic Energy in Ionic Crystals},
87	>	Volume = {375},
88	>	Year = {1981}}
89
90	<	@Article{Sun97,
91	<	author =       {X. Sun and W.~H. Miller},
92	<	title =        {Semiclassical initial value representation for
93	<	electronically nonadiabatic molecular dynamics},
94	<	journal =      jcp,
95	<	year =         1997,
96	<	volume =       106,
97	<	pages =        6346
98	<	}
90	>	@article{Weber00,
91	>	Author = {W. Weber and P.~H. H\"{u}nenberger and J.~A. McCammon},
92	>	Date-Added = {2006-03-16 09:49:22 -0500},
93	>	Date-Modified = {2006-03-16 09:51:17 -0500},
94	>	Doi = {10.1021/jp9937757},
95	>	Journal = {J. Phys. Chem. B},
96	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicityMD_00.pdf},
97	>	Number = {15},
98	>	Pages = {3668-3675},
99	>	Title = {Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation},
100	>	Volume = {104},
101	>	Year = {2000}}
102
103	<	@Article{Spath96,
104	<	author =       {B.~W. Spath and W.~H. Miller},
105	<	title =        {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION
106	<	PROBABILITIES},
107	<	journal =      jcp,
108	<	year =         1996,
109	<	volume =       104,
110	<	pages =        95
111	<	}
103	>	@article{Hunenberger99,
104	>	Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
105	>	Date-Added = {2006-03-16 09:45:10 -0500},
106	>	Date-Modified = {2006-03-16 09:49:15 -0500},
107	>	Journal = {Biophys. Chem.},
108	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicity_99.pdf},
109	>	Pages = {69-88},
110	>	Title = {Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study},
111	>	Volume = {78},
112	>	Year = {1999}}
113
114	<	@Book{Warshel91,
115	<	author =       {Arieh Warshel},
116	<	title =        {Computer modeling of chemical reactions in enzymes
117	<	and solutions},
118	<	publisher =    {Wiley},
119	<	year =         1991,
120	<	address =      {New York}
121	<	}
114	>	@article{Petersen95,
115	>	Author = {H.~G. Petersen},
116	>	Date-Added = {2006-03-16 08:43:02 -0500},
117	>	Date-Modified = {2006-03-16 08:44:32 -0500},
118	>	Journal = {J. Chem. Phys.},
119	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Petersen_AccuracyofPME_95.pdf},
120	>	Month = {September},
121	>	Number = {9},
122	>	Pages = {3668-3679},
123	>	Title = {Accuracy and efficiency of the particle mesh Ewald method},
124	>	Volume = {103},
125	>	Year = {1995}}
126
127	<	@Article{Vuilleumier97,
128	<	author =       {Rodolphe Vuilleumier and Daniel Borgis},
129	<	title =        {Molecular Dynamics of an excess proton in water
130	<	using a non-additive valence bond force field},
131	<	journal =      jpc,
132	<	year =         1997,
133	<	volume =       {in press}
134	<	}
127	>	@article{Luty95,
128	>	Author = {B.~A. Luty and I.~G. Tironi and W.~F. {van~Gunsteren}},
129	>	Date-Added = {2006-03-16 08:39:13 -0500},
130	>	Date-Modified = {2006-03-16 08:41:15 -0500},
131	>	Journal = {J. Chem. Phys.},
132	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_LatticeSumElectrostatics_95.pdf},
133	>	Number = {8},
134	>	Pages = {3014-3021},
135	>	Title = {Lattice-sum methods for calculating electrostatic interactions in molecular simulations},
136	>	Volume = {103},
137	>	Year = {1995}}
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{Barker73,
140	>	Author = {J.~A. Barker and R.~O. Watts },
141	>	Date-Added = {2006-03-15 18:58:17 -0500},
142	>	Date-Modified = {2006-03-15 21:17:31 -0500},
143	>	Journal = {Mol. Phys.},
144	>	Pages = {789=792},
145	>	Title = {Monte Carlo studies of the dielectric properties of water-like models},
146	>	Volume = {26},
147	>	Year = {1973}}
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{Adams79,
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2312	>	Pages = {273-277},
2313	>	Title = {The chemical potential of water: molecular dynamics computer simulation of the CF and SPC models},
2314	>	Volume = 189,
2315	>	Year = 1992}
2316	>
2317	>	@article{Mezei92,
2318	>	Author = {M. Mezei},
2319	>	Journal = {J. Comput. Chem.},
2320	>	Pages = 651,
2321	>	Title = {Don't Remember},
2322	>	Volume = 13,
2323	>	Year = 1992}
2324
2325	<	@Article{Bizid87,
2326	<	author =       {A. Bizid and L. Bosio and A. Defrain and M. Oumezzine},
2327	<	title =        {Structure of high-density amorphous water. I. X-ray diffraction study},
2328	<	journal =      jcp,
2329	<	year =         1987,
2330	<	volume =       87,
2331	<	number =       4,
2344	<	pages =        {2225-2230}
2345	<	}
2325	>	@article{Widom63,
2326	>	Author = {B. Widom},
2327	>	Journal = jcp,
2328	>	Pages = 2808,
2329	>	Title = {Particle insertion},
2330	>	Volume = 39,
2331	>	Year = 1963}
2332
2333	<	@Article{Quintana92,
2334	<	author =       {J. Quintana and A.~D.~J. Haymet},
2335	<	title =        {The chemical potential of water: molecular dynamics computer simulation of the CF and SPC models},
2336	<	journal =      cpl,
2337	<	year =         1992,
2338	<	volume =       189,
2339	<	number =       3,
2340	<	pages =        {273-277}
2355	<	}
2333	>	@article{Clancy94,
2334	>	Author = {L.~A. B\'{a}ez and P. Clancy},
2335	>	Journal = jcp,
2336	>	Number = 11,
2337	>	Pages = {9837-9840},
2338	>	Title = {Existence of a density maximum in extended simple point charge water},
2339	>	Volume = 101,
2340	>	Year = 1994}
2341
2342	+	@article{Jorgensen98b,
2343	+	Author = {W.~L. Jorgensen and C. Jenson},
2344	+	Journal = jcc,
2345	+	Number = 10,
2346	+	Pages = {1179-1186},
2347	+	Title = {Temperature Dependence of TIP3P, SPC, and TIP4P Water from NPT Monte Carlo Simulations: Seeking Temperatures of Maximum Density},
2348	+	Volume = 19,
2349	+	Year = 1998}
2350
2351	<	@Article{Mezei92,
2352	<	author =       {M. Mezei},
2353	<	title =        {Don't Remember},
2354	<	journal =      {J. Comput. Chem.},
2355	<	year =         1992,
2356	<	volume =       13,
2357	<	pages =        651
2358	<	}
2351	>	@article{Mahoney01,
2352	>	Author = {M.~W. Mahoney and W.~L. Jorgensen},
2353	>	Journal = jcp,
2354	>	Number = 1,
2355	>	Pages = {363-366},
2356	>	Title = {Diffusion constant of the TIP5P model of liquid water},
2357	>	Volume = 114,
2358	>	Year = 2001}
2359
2360	+	@article{Rahman75,
2361	+	Author = {A. Rahman and F.~H. Stillinger and H.~L. Lemberg},
2362	+	Journal = jcp,
2363	+	Number = 12,
2364	+	Pages = {5223-5230},
2365	+	Title = {Study of a central force model for liquid water by molecular dynamics},
2366	+	Volume = 63,
2367	+	Year = 1975}
2368
2369	<	@Article{Widom63,
2370	<	author =       {B. Widom},
2371	<	title =        {Particle insertion},
2372	<	journal =      jcp,
2373	<	year =         1963,
2374	<	volume =       39,
2375	<	pages =        2808
2376	<	}
2369	>	@article{Spoel98,
2370	>	Author = {D. {van der Spoel} and P.~J. {van Maaren} and H.~J.~C. Berendsen},
2371	>	Date-Modified = {2006-03-05 12:38:54 -0500},
2372	>	Journal = jcp,
2373	>	Number = 24,
2374	>	Pages = {10220-10230},
2375	>	Title = {A systematic study of water models for molecular simulation: Derivation of water models optimized for use with a reaction field},
2376	>	Volume = 108,
2377	>	Year = 1998}
2378
2379	<	@Article{Clancy94,
2380	<	author =       {L.~A. B\'{a}ez and P. Clancy},
2381	<	title =        {Existence of a density maximum in extended simple point
2382	<	charge water},
2383	<	journal =      jcp,
2384	<	year =         1994,
2385	<	volume =       101,
2384	<	number =       11,
2385	<	pages =        {9837-9840}
2386	<	}
2379	>	@article{Gallagher03,
2380	>	Author = {K.~R. Gallagher and K.~A. Sharp},
2381	>	Journal = jacs,
2382	>	Pages = 9853,
2383	>	Title = {A New Angle on Heat Capacity Changes in Hydrophobic Solvation},
2384	>	Volume = 125,
2385	>	Year = 2003}
2386
2387	<	@Article{Jorgensen98b,
2388	<	author =       {W.~L. Jorgensen and C. Jenson},
2389	<	title =        {Temperature Dependence of TIP3P, SPC, and TIP4P Water
2390	<	from NPT Monte Carlo Simulations: Seeking Temperatures
2391	<	of Maximum Density},
2392	<	journal =      jcc,
2393	<	year =         1998,
2394	<	volume =       19,
2396	<	number =       10,
2397	<	pages =        {1179-1186}
2398	<	}
2387	>	@article{Frenkel84,
2388	>	Author = {D. Frenkel and A.~J.~C. Ladd},
2389	>	Journal = jcp,
2390	>	Number = 7,
2391	>	Pages = {3188-3193},
2392	>	Title = {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres},
2393	>	Volume = 81,
2394	>	Year = 1984}
2395
2396	<	@Article{Mahoney01,
2397	<	author =       {M.~W. Mahoney and W.~L. Jorgensen},
2398	<	title =        {Diffusion constant of the TIP5P model of liquid water},
2399	<	journal =      jcp,
2400	<	year =         2001,
2401	<	volume =       114,
2402	<	number =       1,
2407	<	pages =        {363-366},
2408	<	}
2396	>	@article{Hermens88,
2397	>	Author = {J. Hermans and A. Pathiaseril and A. Anderson},
2398	>	Journal = jacs,
2399	>	Pages = {5982-5986},
2400	>	Title = {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models},
2401	>	Volume = 110,
2402	>	Year = 1988}
2403
2404	<	@Article{Rahman75,
2405	<	author =       {A. Rahman and F.~H. Stillinger and H.~L. Lemberg},
2406	<	title =        {Study of a central force model for liquid water by
2407	<	molecular dynamics},
2408	<	journal =      jcp,
2409	<	year =         1975,
2410	<	volume =       63,
2411	<	number =       12,
2418	<	pages =        {5223-5230}
2419	<	}
2404	>	@article{Meijer90,
2405	>	Author = {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd},
2406	>	Journal = jcp,
2407	>	Number = 12,
2408	>	Pages = {7570-7575},
2409	>	Title = {Location of melting point at 300 K of nitrogen by Monte Carlo simulation},
2410	>	Volume = 92,
2411	>	Year = 1990}
2412
2413	<	@Article{Berendsen98,
2414	<	author =       {D. van der Spoel and P.~J. van Maaren and H.~J.~C. Berendsen},
2415	<	title =        {A systematc study of water models for molecular
2416	<	simulation: Derivation of water models optimized for
2417	<	use with a reaction field},
2418	<	journal =      jcp,
2419	<	year =         1998,
2428	<	volume =       108,
2429	<	number =       24,
2430	<	pages =        {10220-10230}
2431	<	}
2413	>	@article{Li96,
2414	>	Author = {H. Li and R. Helling and C. Tang and N. Wingreen},
2415	>	Journal = {Science},
2416	>	Pages = {666-669},
2417	>	Title = {Emergence of Preferred Structures in a Simple Model of Protein Folding},
2418	>	Volume = 273,
2419	>	Year = 1996}
2420
2421	<	@Article{Gallagher03,
2422	<	author =       {K.~R. Gallagher and K.~A. Sharp},
2423	<	title =        {A New Angle on Heat Capacity Changes in Hydrophobic Solvation},
2424	<	journal =      jacs,
2425	<	year =         2003,
2426	<	volume =       125,
2427	<	pages =        9853
2428	<	}
2421	>	@article{Stillinger74,
2422	>	Author = {F.~H. Stillinger and A. Rahman},
2423	>	Journal = jcp,
2424	>	Number = 4,
2425	>	Pages = {1545-1557},
2426	>	Title = {Improved simulation of liquid water by molecular dynamics},
2427	>	Volume = 60,
2428	>	Year = 1974}
2429
2430	<	@Article{Frenkel84,
2431	<	author =       {D. Frenkel and A.~J.~C. Ladd},
2432	<	title =        {New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres},
2433	<	journal =      jcp,
2434	<	year =         1984,
2435	<	volume =       81,
2436	<	number =       7,
2437	<	pages =        {3188-3193}
2450	<	}
2430	>	@article{Caldwell95,
2431	>	Author = {J.~W. Caldwell and P.~A. Kollman},
2432	>	Journal = jpc,
2433	>	Number = 16,
2434	>	Pages = {6208-6219},
2435	>	Title = {Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and $N$-Methylacetamide},
2436	>	Volume = 99,
2437	>	Year = 1995}
2438
2439	<	@Article{Hermens88,
2440	<	author =       {J. Hermans and A. Pathiaseril and A. Anderson},
2441	<	title =        {Excess Free Energy of Liquids from Molecular Dynamics Simulations. Application to Water Models},
2442	<	journal =      jacs,
2443	<	year =         1988,
2444	<	volume =       110,
2445	<	pages =        {5982-5986}
2446	<	}
2439	>	@article{Urbic00,
2440	>	Author = {T. Urbi\v{c} and V. Vlachy and Y.~V. Kalyuzhnyi and N.~T. Southall and K.~A. Dill},
2441	>	Date-Modified = {2006-02-15 10:34:30 -0500},
2442	>	Journal = jcp,
2443	>	Number = 6,
2444	>	Pages = {2843-2848},
2445	>	Title = {A two-dimensional model of water: Therory and computer simulations},
2446	>	Volume = 112,
2447	>	Year = 2000}
2448
2449	<	@Article{Meijer90,
2450	<	author =       {E.~J. Meijer and D. Frenkel and R.~A. LeSar and A.~J.~C. Ladd},
2451	<	title =        {Location of melting point at 300 K of nitrogen by Monte Carlo simulation},
2452	<	journal =      jcp,
2453	<	year =         1990,
2454	<	volume =       92,
2455	<	number =       12,
2456	<	pages =        {7570-7575}
2469	<	}
2470	<
2471	<	@Article{Li96,
2472	<	author =       {H. Li and R. Helling and C. Tang and N. Wingreen},
2473	<	title =        {Emergence of Preferred Structures in a Simple Model of Protein Folding},
2474	<	journal =      {Science},
2475	<	year =         1996,
2476	<	volume =       273,
2477	<	pages =        {666-669}
2478	<	}
2479	<
2480	<	@Article{Stillinger74,
2481	<	author =       {F.~H. Stillinger and A. Rahman},
2482	<	title =        {Improved simulation of liquid water by molecular dynamics},
2483	<	journal =      jcp,
2484	<	year =         1974,
2485	<	volume =       60,
2486	<	number =       4,
2487	<	pages =        {1545-1557}
2488	<	}
2489	<
2490	<	@Article{Caldwell95,
2491	<	author =       {J.~W. Caldwell and P.~A. Kollman},
2492	<	title =        {Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and $N$-Methylacetamide},
2493	<	journal =      jpc,
2494	<	year =         1995,
2495	<	volume =       99,
2496	<	number =       16,
2497	<	pages =        {6208-6219}
2498	<	}
2499	<
2500	<	@Article{Dill00,
2501	<	author =       {T. Urbi\v{c} and V. Vlachy and Y.~V. Kalyuzhnyi and N.~T. Southall and K.~A. Dill},
2502	<	title =        {A two-dimensional model of water: Therory and computer simulations},
2503	<	journal =      jcp,
2504	<	year =         2000,
2505	<	volume =       112,
2506	<	number =       6,
2507	<	pages =        {2843-2848}
2508	<	}
2509	<
2510	<	@Article{Yang04,
2511	<	author =       {Jianjun Yang and Sheng Meng and L.~F. Xu and E.~G. Wang},
2512	<	title =        {Ice Tessellation on a Hydroxylated Silica Surface},
2513	<	journal =      prl,
2514	<	year =         2004,
2515	<	volume =       92,
2516	<	number =       14,
2517	<	pages =        146102
2518	<	}
2519	<
2449	>	@article{Yang04,
2450	>	Author = {Jianjun Yang and Sheng Meng and L.~F. Xu and E.~G. Wang},
2451	>	Journal = prl,
2452	>	Number = 14,
2453	>	Pages = 146102,
2454	>	Title = {Ice Tessellation on a Hydroxylated Silica Surface},
2455	>	Volume = 92,
2456	>	Year = 2004}

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