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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 2649 by chrisfen, Tue Mar 21 14:58:12 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 2006-03-21 09:57:21 -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	<	}
268	<
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{Kolafa92,
49	>	Author = {J. Kolafa and J.~W. Perram},
50	>	Date-Added = {2006-03-21 09:41:58 -0500},
51	>	Date-Modified = {2006-03-21 09:42:47 -0500},
52	>	Journal = {Mol. Simul.},
53	>	Pages = {351-368},
54	>	Title = {Cutoff Errors in the Ewald. Summation Formulae for Point Charge Systems},
55	>	Volume = {9},
56	>	Year = {1992}}
57
58	<	@Article{Stillinger95,
59	<	author =       {F.~H. Stillinger},
60	<	title =        {A Topographic View of Supercooled Liquids and Glass
61	<	Formation},
62	<	journal =      {Science},
63	<	year =         1995,
64	<	volume =       267,
65	<	pages =        {1935-1939}
66	<	}
58	>	@article{Karasawa89,
59	>	Author = {N. Karasawa and W.~A. {Goddard III}},
60	>	Date-Added = {2006-03-21 09:11:44 -0500},
61	>	Date-Modified = {2006-03-21 09:13:00 -0500},
62	>	Journal = {J. Phys. Chem.},
63	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Karasawa_LatticSumConvergence_89.pdf},
64	>	Pages = {7320-7327},
65	>	Title = {Acceleration of Convergence for Lattice Sums},
66	>	Volume = {93},
67	>	Year = {1989}}
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},
78	<	pages =        1
298	<	}
69	>	@article{Roux99,
70	>	Author = {B. Roux and T. Simonson},
71	>	Date-Added = {2006-03-19 20:10:18 -0500},
72	>	Date-Modified = {2006-03-19 20:12:10 -0500},
73	>	Journal = {Biophys. Chem.},
74	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Roux_ImplicitSolventModels_99.pdf},
75	>	Pages = {1-20},
76	>	Title = {Implicit solvent models},
77	>	Volume = {78},
78	>	Year = {1999}}
79
80	<	@Article{Bembenek96,
81	<	author =       {S.~D. Bembenek and B.~B. Laird},
82	<	title =        {The role of localization in glasses and supercooled liquids},
83	<	journal =      jcp,
84	<	year =         1996,
85	<	volume =       104,
86	<	pages =        5199
87	<	}
80	>	@article{Rokhlin85,
81	>	Author = {V. Rokhlin},
82	>	Date-Added = {2006-03-19 20:02:25 -0500},
83	>	Date-Modified = {2006-03-19 20:04:19 -0500},
84	>	Doi = {10.1016/0021-9991(85)90002-6},
85	>	Journal = {J. Comput. Phys.},
86	>	Month = {September},
87	>	Number = {2},
88	>	Pages = {187-207},
89	>	Title = {Rapid solution of integral equations of classical potential theory},
90	>	Volume = {60},
91	>	Year = {1985}}
92
93	<	@Article{Sun97,
94	<	author =       {X. Sun and W.~H. Miller},
95	<	title =        {Semiclassical initial value representation for
96	<	electronically nonadiabatic molecular dynamics},
97	<	journal =      jcp,
98	<	year =         1997,
99	<	volume =       106,
100	<	pages =        6346
101	<	}
93	>	@article{Grossfield00,
94	>	Author = {A. Grossfield and J. Sachs and T.~B. Woolf},
95	>	Date-Added = {2006-03-19 19:52:19 -0500},
96	>	Date-Modified = {2006-03-19 19:54:14 -0500},
97	>	Journal = {Proteins},
98	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Membrane/Grossfield_dipoleLatticeMembrane_00.pdf},
99	>	Pages = {211-223},
100	>	Title = {Dipole Lattice Membrane Model for Protein Calculations},
101	>	Volume = {41},
102	>	Year = {2000}}
103
104	<	@Article{Spath96,
105	<	author =       {B.~W. Spath and W.~H. Miller},
106	<	title =        {SEMICLASSICAL CALCULATION OF CUMULATIVE REACTION
107	<	PROBABILITIES},
108	<	journal =      jcp,
109	<	year =         1996,
110	<	volume =       104,
111	<	pages =        95
112	<	}
104	>	@article{Born20,
105	>	Author = {M. Born},
106	>	Date-Added = {2006-03-19 18:05:01 -0500},
107	>	Date-Modified = {2006-03-19 18:07:42 -0500},
108	>	Journal = {Z. Physik},
109	>	Pages = {45-48},
110	>	Title = {Volumen und hydratationswame der ionen},
111	>	Volume = {1},
112	>	Year = {1920}}
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{Luty96,
115	>	Author = {B.~A. Luty and W.~F. {van~Gunsteren}},
116	>	Date-Added = {2006-03-18 20:59:19 -0500},
117	>	Date-Modified = {2006-03-18 21:00:33 -0500},
118	>	Journal = {J. Phys. Chem.},
119	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_PPPMElectrostaticCalculations_96.pdf},
120	>	Number = {7},
121	>	Pages = {2581-2587},
122	>	Title = {Calculating Electrostatic Interactions Using the Particle-Particle Particle-Mesh Method with Nonperiodic Long-Range Interactions},
123	>	Volume = {100},
124	>	Year = {1996}}
125
126	<	@Article{Vuilleumier97,
127	<	author =       {Rodolphe Vuilleumier and Daniel Borgis},
128	<	title =        {Molecular Dynamics of an excess proton in water
129	<	using a non-additive valence bond force field},
130	<	journal =      jpc,
131	<	year =         1997,
132	<	volume =       {in press}
133	<	}
126	>	@article{Rhee89,
127	>	Author = {Y.-J. Rhee and J.~W. Halley and J. Hautman and A. Rahman},
128	>	Date-Added = {2006-03-18 20:48:07 -0500},
129	>	Date-Modified = {2006-03-18 20:51:09 -0500},
130	>	Journal = {Phys. Rev. B},
131	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Rhee_finiteDimensionEwald_88.pdf},
132	>	Number = {1},
133	>	Pages = {36-42},
134	>	Title = {Ewald methods in molecular dynamics for systems of finite extent in one of three dimensions},
135	>	Volume = {40},
136	>	Year = {1989}}
137
138	<	@Article{Kob95a,
139	<	author =       {W. Kob and H.~C. Andersen},
140	<	title =        {Testing mode-coupling theory for a supercooled
141	<	binary Lennard-Jones mixtures: The van Hove
142	<	corraltion function},
143	<	journal =      pre,
144	<	year =         1995,
145	<	volume =       51,
146	<	pages =        {4626-4641}
147	<	}
138	>	@article{Hunenberger99a,
139	>	Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
140	>	Date-Added = {2006-03-18 20:14:24 -0500},
141	>	Date-Modified = {2006-03-18 20:16:01 -0500},
142	>	Journal = {J. Chem. Phys.},
143	>	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Hunenberger_IonSolutionEwaldArtifacts_99.pdf},
144	>	Number = {4},
145	>	Pages = {1856-1872},
146	>	Title = {Ewald artifacts in computer simulations of ionic solvation and ion -- ion interaction: A continuum electrostatics study},
147	>	Volume = {110},
148	>	Year = {1999}}
149
150	<	@Article{Kob95b,
151	<	author =       {W. Kob and H.~C. Andersen},
152	<	title =        {Testing mode-coupling theory for a supercooled
153	<	binary Lennard-Jones mixtures. II. Intermediate
154	<	scattering function and dynamic susceptibility},
155	<	journal =      pre,
156	<	year =         1995,
157	<	volume =       52,
158	<	pages =        {4134-4153}
159	<	}
150	>	@article{Roberts95,
151	>	Author = {J.~E. Roberts and J. Schnitker},
152	>	Date-Added = {2006-03-18 20:12:23 -0500},
153	>	Date-Modified = {2006-03-18 20:13:36 -0500},
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2408	<	title =        {The Missing Term in Effective Pair Potentials},
2409	<	journal =      jpc,
2410	<	year =         1987,
2411	<	volume =       91,
2412	<	pages =        {6269-6271}
2206	<	}
2406	>	@article{Berendsen87,
2407	>	Author = {H.~J.~C. Berendsen and J.~R. Grigera and T.~P. Straatsma},
2408	>	Journal = jpc,
2409	>	Pages = {6269-6271},
2410	>	Title = {The Missing Term in Effective Pair Potentials},
2411	>	Volume = 91,
2412	>	Year = 1987}
2413
2414	<	@InCollection{Berendsen81,
2415	<	author =       {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans},
2416	<	title =        {Simple Point Charge Water},
2417	<	booktitle =    {Intermolecular Forces},
2418	<	pages =        331,
2419	<	publisher =    {Reidel},
2420	<	year =         1981,
2421	<	editor =       {B. Pullman},
2422	<	address =      {Dordrecht}
2217	<	}
2414	>	@incollection{Berendsen81,
2415	>	Address = {Dordrecht},
2416	>	Author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans},
2417	>	Booktitle = {Intermolecular Forces},
2418	>	Editor = {B. Pullman},
2419	>	Pages = 331,
2420	>	Publisher = {Reidel},
2421	>	Title = {Simple Point Charge Water},
2422	>	Year = 1981}
2423
2424	+	@article{Mahoney00,
2425	+	Author = {M.~W. Mahoney and W.~L. Jorgensen},
2426	+	Journal = jcp,
2427	+	Number = 20,
2428	+	Pages = {8910-8922},
2429	+	Title = {A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions},
2430	+	Volume = 112,
2431	+	Year = 2000}
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2434	<	author =       {M.~W. Mahoney and W.~L. Jorgensen},
2435	<	title =        {A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions},
2436	<	journal =      jcp,
2437	<	year =         2000,
2438	<	volume =       112,
2439	<	number =       20,
2440	<	pages =        {8910-8922}
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2434	>	Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
2435	>	Date-Modified = {2006-03-05 12:37:31 -0500},
2436	>	Journal = {J. Comp. Chem.},
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2439	>	Title = {OOPSE: An Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
2440	>	Volume = 26,
2441	>	Year = 2005}
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2443	+	@article{Baez95a,
2444	+	Author = {L.~A. B\`{a}ez and P. Clancy},
2445	+	Journal = mp,
2446	+	Number = 3,
2447	+	Pages = {385-396},
2448	+	Title = {Calculation of free energy for molecular crystals by thermodynamic integration},
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2450	+	Year = 1995}
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2453	<	author =       {M.~A. Meineke and C.~F. Vardeman~II and T. Lin and C.~J. Fennell and J.~D. Gezelter},
2454	<	title =        {OOPSE: An Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
2455	<	journal =      {J. Comp. Chem.},
2456	<	year =         2005,
2457	<	volume =       26,
2458	<	pages =        {252-271}
2459	<	}
2452	>	@article{Baez95b,
2453	>	Author = {L.~A. B\`{a}ez and P. Clancy},
2454	>	Journal = jcp,
2455	>	Number = 22,
2456	>	Pages = {9744-9755},
2457	>	Title = {Phase equilibria in extended simple point charge ice-water systems},
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2467	<	number =       3,
2468	<	pages =        {385-396}
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2465	>	Pages = {3741-3742},
2466	>	Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
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2471	<	author =       {L.~A. B\`{a}ez and P. Clancy},
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2473	<	journal =      jcp,
2474	<	year =         1995,
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2477	<	pages =        {9744-9755}
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2482	<	journal =      jcp,
2483	<	year =         1984,
2484	<	volume =       81,
2485	<	number =       8,
2267	<	pages =        {3741-3742}
2268	<	}
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2480	>	Author = {L. Onsager},
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2482	>	Pages = {1486-1493},
2483	>	Title = {Electric Moments of Molecules in Liquids},
2484	>	Volume = 58,
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2488	<	author =       {E. Sanz and C. Vega and J.~L.~F. Abascal and L.~G. MacDowell},
2489	<	title =        {Phase Diagram of Water from Computer Simulation},
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2491	<	year =         2004,
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2499	<	year =         1936,
2500	<	volume =       58,
2501	<	pages =        {1486-1493}
2502	<	}
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2497	>	Journal = prl,
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2506	<	title =        {Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing},
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2506	>	Journal = jpc,
2507	>	Pages = {2885-2892},
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2354	<	pages =        {273-277}
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2564	+	@article{Clancy94,
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2583	+	Author = {M.~W. Mahoney and W.~L. Jorgensen},
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2596	<	volume =       39,
2597	<	pages =        2808
2598	<	}
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2592	>	Author = {A. Rahman and F.~H. Stillinger and H.~L. Lemberg},
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2603	<	charge water},
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2612	<	title =        {Temperature Dependence of TIP3P, SPC, and TIP4P Water
2613	<	from NPT Monte Carlo Simulations: Seeking Temperatures
2614	<	of Maximum Density},
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2397	<	pages =        {1179-1186}
2398	<	}
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2611	>	Author = {K.~R. Gallagher and K.~A. Sharp},
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