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1 %% This BibTeX bibliography file was created using BibDesk.
2 %% http://bibdesk.sourceforge.net/
3
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5 %% Created for Patrick Louden at 2013-06-13 15:56:09 -0400
6
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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},
213 Date-Added = {2013-01-25 22:00:42 +0000},
214 Date-Modified = {2013-01-25 22:10:46 +0000},
215 Journal = {J. Chem. Phys.},
216 Pages = {3741-3742},
217 Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
218 Volume = {81},
219 Year = {1984}}
220
221 @article{Cota77,
222 Author = {E. Cota, W. G. Hoover},
223 Date-Added = {2013-01-25 21:59:33 +0000},
224 Date-Modified = {2013-01-25 22:10:39 +0000},
225 Journal = {J. Chem. Phys.},
226 Number = {8},
227 Pages = {3839},
228 Title = {Computer simulation of hexagonal ice},
229 Volume = {67},
230 Year = {1977}}
231
232 @article{Gay02,
233 Author = {S. C. Gay, E. J. Smith, A. D. J. Haymet},
234 Date-Added = {2013-01-25 21:57:19 +0000},
235 Date-Modified = {2013-01-25 22:11:04 +0000},
236 Journal = {J. Chem. Phys.},
237 Number = {20},
238 Pages = {8876-8880},
239 Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
240 Volume = {116},
241 Year = {2002}}
242
243 @article{Karim90,
244 Author = {O. A. Karim, A. D. J. Haymet},
245 Date-Added = {2013-01-25 21:55:59 +0000},
246 Date-Modified = {2013-01-25 22:11:50 +0000},
247 Journal = {J. Chem. Phys.},
248 Pages = {4634},
249 Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
250 Volume = {92},
251 Year = {1990}}
252
253 @article{Karim88,
254 Author = {O. A. Karim, A. D. J. Haymet},
255 Date-Added = {2013-01-25 21:53:57 +0000},
256 Date-Modified = {2013-01-25 22:11:43 +0000},
257 Journal = {J. Chem. Phys.},
258 Pages = {6889},
259 Title = {The ice/water interface: A molecular dynamics simulation study},
260 Volume = {11},
261 Year = {1988}}
262
263 @article{Karim87,
264 Author = {O. A. Karim, A. D. J. Haymet},
265 Date-Added = {2013-01-25 21:52:35 +0000},
266 Date-Modified = {2013-01-25 22:11:35 +0000},
267 Journal = {Chem. Phys. Letters},
268 Number = {6},
269 Pages = {531-534},
270 Title = {The Ice/Water Interface},
271 Volume = {138},
272 Year = {1987}}
273
274 @article{Batista01,
275 Author = {E. R. Batista, H. Jonsson},
276 Date-Added = {2013-01-25 21:50:07 +0000},
277 Date-Modified = {2013-01-25 21:52:26 +0000},
278 Journal = {Computational Materials Science},
279 Pages = {325-336},
280 Title = {Diffusion and Island formation of the ice Ih basal plane surface},
281 Volume = {20},
282 Year = {2001}}
283
284 @article{Campo10,
285 Author = {M. G. Campo},
286 Date-Added = {2013-01-25 21:48:02 +0000},
287 Date-Modified = {2013-01-25 21:48:44 +0000},
288 Journal = {Papers in Physics},
289 Pages = {020001},
290 Title = {Structural and dynamic properties of SPC/E water},
291 Volume = {2},
292 Year = {2010}}
293
294 @article{Vega05,
295 Author = {C. Vega, E. Sanz, J. L. F. Abascal},
296 Date-Added = {2013-01-25 21:44:43 +0000},
297 Date-Modified = {2013-01-25 22:12:30 +0000},
298 Journal = {J. Chem. Phys.},
299 Pages = {114507},
300 Title = {The melting temperature of the most common models of water},
301 Volume = {122},
302 Year = {2005}}
303
304 @article{Kumar09,
305 Author = {P. Kumar, S. V. Buldyrev, H. E. Stanley},
306 Date-Added = {2013-01-25 21:42:09 +0000},
307 Date-Modified = {2013-01-25 21:44:12 +0000},
308 Journal = {PNAS},
309 Number = {52},
310 Pages = {22130-22134},
311 Title = {A tetrahedral entropy for water},
312 Volume = {106},
313 Year = {2009}}
314
315 @article{Errington01,
316 Author = {J. R. Errington, P. G. Debenedetti},
317 Date-Added = {2013-01-25 21:40:29 +0000},
318 Date-Modified = {2013-01-25 21:41:48 +0000},
319 Journal = {Nature},
320 Pages = {318-321},
321 Title = {Relationship between structural order and the anomalies of liquid water},
322 Volume = {409},
323 Year = {2001}}
324
325 @article{Chau98,
326 Author = {P. L. Chau, A. J. Hardwick},
327 Date-Added = {2013-01-25 21:39:31 +0000},
328 Date-Modified = {2013-01-25 21:40:24 +0000},
329 Journal = {Molecular Physics},
330 Number = {3},
331 Pages = {511-518},
332 Title = {A new order parameter for tetrahedral configurations},
333 Volume = {93},
334 Year = {1998}}
335
336 @article{Kuang12,
337 Author = {S. Kuang, J. D. Gezelter},
338 Date-Added = {2013-01-25 21:35:01 +0000},
339 Date-Modified = {2013-01-25 21:36:21 +0000},
340 Journal = {Molecular Physics},
341 Pages = {691-701},
342 Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
343 Volume = {110},
344 Year = {2012}}
345
346 @article{Kuang10,
347 Author = {S. Kuang, J. D. Gezelter},
348 Date-Added = {2013-01-25 21:27:09 +0000},
349 Date-Modified = {2013-01-25 22:11:56 +0000},
350 Journal = {J. Chem. Phys.},
351 Pages = {164101},
352 Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
353 Volume = {133},
354 Year = {2010}}
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356 @article{Hirsch04,
357 Author = {T. K. Hirsch, L. Ojamae},
358 Date-Added = {2013-01-25 21:10:43 +0000},
359 Date-Modified = {2013-01-25 22:11:11 +0000},
360 Journal = {J. Phys. Chem.},
361 Pages = {15856-15864},
362 Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
363 Volume = {108},
364 Year = {2004}}
365
366 @article{Berendsen87,
367 Author = {H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma},
368 Date-Added = {2013-01-25 21:04:56 +0000},
369 Date-Modified = {2013-01-25 22:10:18 +0000},
370 Journal = {JACS},
371 Number = {24},
372 Pages = {6269-6271},
373 Title = {The Missing Term In Effective Pair Potentials},
374 Volume = {91},
375 Year = {1987}}