trunk/iceWater/iceWater.bib

%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/


%% Created for Patrick Louden at 2013-06-13 15:56:09 -0400 


%% Saved with string encoding Unicode (UTF-8) 


@article{Balasubramanian99,
        Author = {S. Balasubramanian, C. J. Mundy},
        Date-Added = {2013-06-13 16:47:33 +0000},
        Date-Modified = {2013-06-13 16:49:21 +0000},
        Journal = {Bull. Mater. Sci.},
        Number = {5},
        Pages = {873-876},
        Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
        Volume = {22},
        Year = {1999}}

@article{Arbuckle02,
        Author = {B. W. Arbuckle, P. Clancy},
        Date-Added = {2013-04-26 19:34:32 +0000},
        Date-Modified = {2013-04-26 19:35:37 +0000},
        Journal = {J. Chem. Phys.},
        Number = {12},
        Pages = {5090-5098},
        Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
        Volume = {116},
        Year = {2002}}

@article{Baez95,
        Author = {L. A. Baez, P. Clancy},
        Date-Added = {2013-04-17 20:31:40 +0000},
        Date-Modified = {2013-04-17 20:32:34 +0000},
        Journal = {J. Chem. Phys.},
        Number = {22},
        Pages = {9744-9755},
        Title = {Phase equilibria in extended simple point charge ice-water systems},
        Volume = {103},
        Year = {1995}}

@article{Nada95,
        Author = {H. Nada, Y. Furukawa},
        Date-Added = {2013-04-17 18:46:57 +0000},
        Date-Modified = {2013-04-17 18:48:19 +0000},
        Journal = {Jpn. J. Appl. Phys.},
        Pages = {583-588},
        Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
        Volume = {34},
        Year = {1995}}

@article{Nada03,
        Author = {H. Nada, J. P. J. M. van der Eerden},
        Date-Added = {2013-04-17 18:45:21 +0000},
        Date-Modified = {2013-04-17 18:46:42 +0000},
        Journal = {J. Chem. Phys.},
        Number = {16},
        Pages = {7401-7413},
        Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-sit model for H2O},
        Volume = {118},
        Year = {2003}}

@article{Nada00,
        Author = {H. Nada, Y. Furukawa},
        Date-Added = {2013-04-17 18:43:16 +0000},
        Date-Modified = {2013-04-17 18:44:49 +0000},
        Journal = {Surface Science},
        Pages = {1-16},
        Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
        Volume = {446},
        Year = {2000}}

@article{Bryk02,
        Author = {T. Bryk, A. D. J. Haymet},
        Date-Added = {2013-04-12 18:10:25 +0000},
        Date-Modified = {2013-04-12 18:11:48 +0000},
        Journal = {J. Chem. Phys.},
        Number = {22},
        Pages = {10258-10268},
        Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
        Volume = {117},
        Year = {2002}}

@article{Hayward02,
        Author = {J. A. Hayward, A. D. J. Haymet},
        Date-Added = {2013-04-10 20:51:16 +0000},
        Date-Modified = {2013-04-10 20:52:36 +0000},
        Journal = {Phys. Chem. Chem. Phys.},
        Pages = {3712-3719},
        Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
        Volume = {4},
        Year = {2002}}

@article{Rick01,
        Author = {S. W. Rick},
        Date-Added = {2013-04-10 20:46:33 +0000},
        Date-Modified = {2013-04-10 20:47:32 +0000},
        Journal = {J. Chem. Phys.},
        Number = {5},
        Pages = {2276-2283},
        Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
        Volume = {114},
        Year = {2001}}

@article{Hayward01,
        Author = {J. A. Hayward, A. D. J. Haymet},
        Date-Added = {2013-04-10 19:52:17 +0000},
        Date-Modified = {2013-04-10 19:54:48 +0000},
        Journal = {J. Chem. Phys.},
        Number = {8},
        Pages = {3713-3726},
        Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
        Volume = {114},
        Year = {2001}}

@article{Beaglehole93,
        Author = {D. Beaglehole, P. Wilson},
        Date-Added = {2013-01-25 22:22:46 +0000},
        Date-Modified = {2013-01-25 22:23:28 +0000},
        Journal = {J. Phys. Chem.},
        Pages = {11053-11055},
        Title = {Thickness and Anisotropy of the Ice-Water Interface},
        Volume = {97},
        Year = {1993}}

@article{Barnaal67,
        Author = {D. E. Barnaal, I. J. Lowe},
        Date-Added = {2013-01-25 22:17:46 +0000},
        Date-Modified = {2013-01-25 22:22:39 +0000},
        Journal = {J. Chem. Phys.},
        Number = {12},
        Pages = {4800- 4809},
        Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
        Volume = {46},
        Year = {1967}}

@article{Peterson57,
        Author = {S. W. Peterson, H. A. Levy},
        Date-Added = {2013-01-25 22:16:38 +0000},
        Date-Modified = {2013-01-25 22:17:41 +0000},
        Journal = {Acta Cryst.},
        Pages = {70-76},
        Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
        Volume = {10},
        Year = {1957}}

@article{Huler76,
        Author = {E. Huler, A. Zunger},
        Date-Added = {2013-01-25 22:12:37 +0000},
        Date-Modified = {2013-01-25 22:13:46 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {433-440},
        Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
        Volume = {13},
        Year = {1976}}

@article{Weber83,
        Author = {T. A. Weber, F. H. Stillinger},
        Date-Added = {2013-01-25 22:08:55 +0000},
        Date-Modified = {2013-01-25 22:12:35 +0000},
        Journal = {J. Phys. Chem.},
        Pages = {4277-4281},
        Title = {Molecular Dynamics Study of Ice Crystallite Melting},
        Volume = {87},
        Year = {1983}}

@article{Rahman72,
        Author = {A. Rahman, F. H. Stillinger},
        Date-Added = {2013-01-25 22:07:43 +0000},
        Date-Modified = {2013-01-25 22:12:09 +0000},
        Journal = {J. Chem. Phys.},
        Number = {9},
        Pages = {4009-4017},
        Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
        Volume = {57},
        Year = {1972}}

@article{Santry72,
        Author = {D. P. Santry},
        Date-Added = {2013-01-25 22:05:34 +0000},
        Date-Modified = {2013-01-25 22:12:17 +0000},
        Journal = {JACS},
        Pages = {8311-8316},
        Title = {Molecular Orbital Studies on Hexagonal Ice},
        Volume = {94},
        Year = {1972}}

@article{Townsend83,
        Author = {M. Townsend, S. A. Rice},
        Date-Added = {2013-01-25 22:04:31 +0000},
        Date-Modified = {2013-01-25 22:12:24 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {2496-2498},
        Title = {A test of an effective pair potential for liquid water},
        Volume = {79},
        Year = {1983}}

@article{Deutsch83,
        Author = {P. W. Deutsch, B. N. Hale, R. C. Ward, D. A. Reago Jr.},
        Date-Added = {2013-01-25 22:01:53 +0000},
        Date-Modified = {2013-01-25 22:10:54 +0000},
        Journal = {J. Phys. Chem.},
        Pages = {4309-4311},
        Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
        Volume = {87},
        Year = {1983}}

@article{Davidson84,
        Author = {E. R. Davidson, K. Morokuma},
        Date-Added = {2013-01-25 22:00:42 +0000},
        Date-Modified = {2013-01-25 22:10:46 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {3741-3742},
        Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
        Volume = {81},
        Year = {1984}}

@article{Cota77,
        Author = {E. Cota, W. G. Hoover},
        Date-Added = {2013-01-25 21:59:33 +0000},
        Date-Modified = {2013-01-25 22:10:39 +0000},
        Journal = {J. Chem. Phys.},
        Number = {8},
        Pages = {3839},
        Title = {Computer simulation of hexagonal ice},
        Volume = {67},
        Year = {1977}}

@article{Gay02,
        Author = {S. C. Gay, E. J. Smith, A. D. J. Haymet},
        Date-Added = {2013-01-25 21:57:19 +0000},
        Date-Modified = {2013-01-25 22:11:04 +0000},
        Journal = {J. Chem. Phys.},
        Number = {20},
        Pages = {8876-8880},
        Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
        Volume = {116},
        Year = {2002}}

@article{Karim90,
        Author = {O. A. Karim, A. D. J. Haymet},
        Date-Added = {2013-01-25 21:55:59 +0000},
        Date-Modified = {2013-01-25 22:11:50 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {4634},
        Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
        Volume = {92},
        Year = {1990}}

@article{Karim88,
        Author = {O. A. Karim, A. D. J. Haymet},
        Date-Added = {2013-01-25 21:53:57 +0000},
        Date-Modified = {2013-01-25 22:11:43 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {6889},
        Title = {The ice/water interface: A molecular dynamics simulation study},
        Volume = {11},
        Year = {1988}}

@article{Karim87,
        Author = {O. A. Karim, A. D. J. Haymet},
        Date-Added = {2013-01-25 21:52:35 +0000},
        Date-Modified = {2013-01-25 22:11:35 +0000},
        Journal = {Chem. Phys. Letters},
        Number = {6},
        Pages = {531-534},
        Title = {The Ice/Water Interface},
        Volume = {138},
        Year = {1987}}

@article{Batista01,
        Author = {E. R. Batista, H. Jonsson},
        Date-Added = {2013-01-25 21:50:07 +0000},
        Date-Modified = {2013-01-25 21:52:26 +0000},
        Journal = {Computational Materials Science},
        Pages = {325-336},
        Title = {Diffusion and Island formation of the ice Ih basal plane surface},
        Volume = {20},
        Year = {2001}}

@article{Campo10,
        Author = {M. G. Campo},
        Date-Added = {2013-01-25 21:48:02 +0000},
        Date-Modified = {2013-01-25 21:48:44 +0000},
        Journal = {Papers in Physics},
        Pages = {020001},
        Title = {Structural and dynamic properties of SPC/E water},
        Volume = {2},
        Year = {2010}}

@article{Vega05,
        Author = {C. Vega, E. Sanz, J. L. F. Abascal},
        Date-Added = {2013-01-25 21:44:43 +0000},
        Date-Modified = {2013-01-25 22:12:30 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {114507},
        Title = {The melting temperature of the most common models of water},
        Volume = {122},
        Year = {2005}}

@article{Kumar09,
        Author = {P. Kumar, S. V. Buldyrev, H. E. Stanley},
        Date-Added = {2013-01-25 21:42:09 +0000},
        Date-Modified = {2013-01-25 21:44:12 +0000},
        Journal = {PNAS},
        Number = {52},
        Pages = {22130-22134},
        Title = {A tetrahedral entropy for water},
        Volume = {106},
        Year = {2009}}

@article{Errington01,
        Author = {J. R. Errington, P. G. Debenedetti},
        Date-Added = {2013-01-25 21:40:29 +0000},
        Date-Modified = {2013-01-25 21:41:48 +0000},
        Journal = {Nature},
        Pages = {318-321},
        Title = {Relationship between structural order and the anomalies of liquid water},
        Volume = {409},
        Year = {2001}}

@article{Chau98,
        Author = {P. L. Chau, A. J. Hardwick},
        Date-Added = {2013-01-25 21:39:31 +0000},
        Date-Modified = {2013-01-25 21:40:24 +0000},
        Journal = {Molecular Physics},
        Number = {3},
        Pages = {511-518},
        Title = {A new order parameter for tetrahedral configurations},
        Volume = {93},
        Year = {1998}}

@article{Kuang12,
        Author = {S. Kuang, J. D. Gezelter},
        Date-Added = {2013-01-25 21:35:01 +0000},
        Date-Modified = {2013-01-25 21:36:21 +0000},
        Journal = {Molecular Physics},
        Pages = {691-701},
        Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
        Volume = {110},
        Year = {2012}}

@article{Kuang10,
        Author = {S. Kuang, J. D. Gezelter},
        Date-Added = {2013-01-25 21:27:09 +0000},
        Date-Modified = {2013-01-25 22:11:56 +0000},
        Journal = {J. Chem. Phys.},
        Pages = {164101},
        Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
        Volume = {133},
        Year = {2010}}

@article{Hirsch04,
        Author = {T. K. Hirsch, L. Ojamae},
        Date-Added = {2013-01-25 21:10:43 +0000},
        Date-Modified = {2013-01-25 22:11:11 +0000},
        Journal = {J. Phys. Chem.},
        Pages = {15856-15864},
        Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
        Volume = {108},
        Year = {2004}}

@article{Berendsen87,
        Author = {H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma},
        Date-Added = {2013-01-25 21:04:56 +0000},
        Date-Modified = {2013-01-25 22:10:18 +0000},
        Journal = {JACS},
        Number = {24},
        Pages = {6269-6271},
        Title = {The Missing Term In Effective Pair Potentials},
        Volume = {91},
        Year = {1987}}
Revision:	3897
Committed:	Mon Jun 17 19:36:15 2013 UTC (12 years, 5 months ago) by gezelter
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Log Message:	New Paper
#	User	Rev	Content
1	gezelter	3897	%% This BibTeX bibliography file was created using BibDesk.
2			%% http://bibdesk.sourceforge.net/
3
4
5			%% Created for Patrick Louden at 2013-06-13 15:56:09 -0400
6
7
8			%% Saved with string encoding Unicode (UTF-8)
9
10
11
12			@article{Balasubramanian99,
13			Author = {S. Balasubramanian, C. J. Mundy},
14			Date-Added = {2013-06-13 16:47:33 +0000},
15			Date-Modified = {2013-06-13 16:49:21 +0000},
16			Journal = {Bull. Mater. Sci.},
17			Number = {5},
18			Pages = {873-876},
19			Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
20			Volume = {22},
21			Year = {1999}}
22
23			@article{Arbuckle02,
24			Author = {B. W. Arbuckle, P. Clancy},
25			Date-Added = {2013-04-26 19:34:32 +0000},
26			Date-Modified = {2013-04-26 19:35:37 +0000},
27			Journal = {J. Chem. Phys.},
28			Number = {12},
29			Pages = {5090-5098},
30			Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
31			Volume = {116},
32			Year = {2002}}
33
34			@article{Baez95,
35			Author = {L. A. Baez, P. Clancy},
36			Date-Added = {2013-04-17 20:31:40 +0000},
37			Date-Modified = {2013-04-17 20:32:34 +0000},
38			Journal = {J. Chem. Phys.},
39			Number = {22},
40			Pages = {9744-9755},
41			Title = {Phase equilibria in extended simple point charge ice-water systems},
42			Volume = {103},
43			Year = {1995}}
44
45			@article{Nada95,
46			Author = {H. Nada, Y. Furukawa},
47			Date-Added = {2013-04-17 18:46:57 +0000},
48			Date-Modified = {2013-04-17 18:48:19 +0000},
49			Journal = {Jpn. J. Appl. Phys.},
50			Pages = {583-588},
51			Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
52			Volume = {34},
53			Year = {1995}}
54
55			@article{Nada03,
56			Author = {H. Nada, J. P. J. M. van der Eerden},
57			Date-Added = {2013-04-17 18:45:21 +0000},
58			Date-Modified = {2013-04-17 18:46:42 +0000},
59			Journal = {J. Chem. Phys.},
60			Number = {16},
61			Pages = {7401-7413},
62			Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-sit model for H2O},
63			Volume = {118},
64			Year = {2003}}
65
66			@article{Nada00,
67			Author = {H. Nada, Y. Furukawa},
68			Date-Added = {2013-04-17 18:43:16 +0000},
69			Date-Modified = {2013-04-17 18:44:49 +0000},
70			Journal = {Surface Science},
71			Pages = {1-16},
72			Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
73			Volume = {446},
74			Year = {2000}}
75
76			@article{Bryk02,
77			Author = {T. Bryk, A. D. J. Haymet},
78			Date-Added = {2013-04-12 18:10:25 +0000},
79			Date-Modified = {2013-04-12 18:11:48 +0000},
80			Journal = {J. Chem. Phys.},
81			Number = {22},
82			Pages = {10258-10268},
83			Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
84			Volume = {117},
85			Year = {2002}}
86
87			@article{Hayward02,
88			Author = {J. A. Hayward, A. D. J. Haymet},
89			Date-Added = {2013-04-10 20:51:16 +0000},
90			Date-Modified = {2013-04-10 20:52:36 +0000},
91			Journal = {Phys. Chem. Chem. Phys.},
92			Pages = {3712-3719},
93			Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
94			Volume = {4},
95			Year = {2002}}
96
97			@article{Rick01,
98			Author = {S. W. Rick},
99			Date-Added = {2013-04-10 20:46:33 +0000},
100			Date-Modified = {2013-04-10 20:47:32 +0000},
101			Journal = {J. Chem. Phys.},
102			Number = {5},
103			Pages = {2276-2283},
104			Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
105			Volume = {114},
106			Year = {2001}}
107
108			@article{Hayward01,
109			Author = {J. A. Hayward, A. D. J. Haymet},
110			Date-Added = {2013-04-10 19:52:17 +0000},
111			Date-Modified = {2013-04-10 19:54:48 +0000},
112			Journal = {J. Chem. Phys.},
113			Number = {8},
114			Pages = {3713-3726},
115			Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
116			Volume = {114},
117			Year = {2001}}
118
119			@article{Beaglehole93,
120			Author = {D. Beaglehole, P. Wilson},
121			Date-Added = {2013-01-25 22:22:46 +0000},
122			Date-Modified = {2013-01-25 22:23:28 +0000},
123			Journal = {J. Phys. Chem.},
124			Pages = {11053-11055},
125			Title = {Thickness and Anisotropy of the Ice-Water Interface},
126			Volume = {97},
127			Year = {1993}}
128
129			@article{Barnaal67,
130			Author = {D. E. Barnaal, I. J. Lowe},
131			Date-Added = {2013-01-25 22:17:46 +0000},
132			Date-Modified = {2013-01-25 22:22:39 +0000},
133			Journal = {J. Chem. Phys.},
134			Number = {12},
135			Pages = {4800- 4809},
136			Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
137			Volume = {46},
138			Year = {1967}}
139
140			@article{Peterson57,
141			Author = {S. W. Peterson, H. A. Levy},
142			Date-Added = {2013-01-25 22:16:38 +0000},
143			Date-Modified = {2013-01-25 22:17:41 +0000},
144			Journal = {Acta Cryst.},
145			Pages = {70-76},
146			Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
147			Volume = {10},
148			Year = {1957}}
149
150			@article{Huler76,
151			Author = {E. Huler, A. Zunger},
152			Date-Added = {2013-01-25 22:12:37 +0000},
153			Date-Modified = {2013-01-25 22:13:46 +0000},
154			Journal = {J. Chem. Phys.},
155			Pages = {433-440},
156			Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
157			Volume = {13},
158			Year = {1976}}
159
160			@article{Weber83,
161			Author = {T. A. Weber, F. H. Stillinger},
162			Date-Added = {2013-01-25 22:08:55 +0000},
163			Date-Modified = {2013-01-25 22:12:35 +0000},
164			Journal = {J. Phys. Chem.},
165			Pages = {4277-4281},
166			Title = {Molecular Dynamics Study of Ice Crystallite Melting},
167			Volume = {87},
168			Year = {1983}}
169
170			@article{Rahman72,
171			Author = {A. Rahman, F. H. Stillinger},
172			Date-Added = {2013-01-25 22:07:43 +0000},
173			Date-Modified = {2013-01-25 22:12:09 +0000},
174			Journal = {J. Chem. Phys.},
175			Number = {9},
176			Pages = {4009-4017},
177			Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
178			Volume = {57},
179			Year = {1972}}
180
181			@article{Santry72,
182			Author = {D. P. Santry},
183			Date-Added = {2013-01-25 22:05:34 +0000},
184			Date-Modified = {2013-01-25 22:12:17 +0000},
185			Journal = {JACS},
186			Pages = {8311-8316},
187			Title = {Molecular Orbital Studies on Hexagonal Ice},
188			Volume = {94},
189			Year = {1972}}
190
191			@article{Townsend83,
192			Author = {M. Townsend, S. A. Rice},
193			Date-Added = {2013-01-25 22:04:31 +0000},
194			Date-Modified = {2013-01-25 22:12:24 +0000},
195			Journal = {J. Chem. Phys.},
196			Pages = {2496-2498},
197			Title = {A test of an effective pair potential for liquid water},
198			Volume = {79},
199			Year = {1983}}
200
201			@article{Deutsch83,
202			Author = {P. W. Deutsch, B. N. Hale, R. C. Ward, D. A. Reago Jr.},
203			Date-Added = {2013-01-25 22:01:53 +0000},
204			Date-Modified = {2013-01-25 22:10:54 +0000},
205			Journal = {J. Phys. Chem.},
206			Pages = {4309-4311},
207			Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
208			Volume = {87},
209			Year = {1983}}
210
211			@article{Davidson84,
212			Author = {E. R. Davidson, K. Morokuma},
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