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1 %% This BibTeX bibliography file was created using BibDesk.
2 %% http://bibdesk.sourceforge.net/
3
4
5 %% Created for Patrick Louden at 2013-06-19 13:31:56 -0400
6
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8 %% Saved with string encoding Unicode (UTF-8)
9
10
11
12 @article{Gonzalez10,
13 Author = {M. A. Gonzalez, J. L. F. Abascal},
14 Date-Added = {2013-06-19 17:30:15 +0000},
15 Date-Modified = {2013-06-19 17:31:54 +0000},
16 Journal = {J. Chem. Phys.},
17 Pages = {096101-1},
18 Title = {The shear viscosity of rigid water models},
19 Volume = {132},
20 Year = {2010}}
21
22 @article{Balasubramanian96,
23 Author = {S. Balasubramanian, C. J. Mundy, M. L. Klein},
24 Date-Added = {2013-06-19 17:28:24 +0000},
25 Date-Modified = {2013-06-19 17:29:47 +0000},
26 Journal = {J. Chem. Phys.},
27 Number = {24},
28 Pages = {11190-11195},
29 Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
30 Volume = {105},
31 Year = {1996}}
32
33 @article{Guo01,
34 Author = {G. Guo, Y. Zhang},
35 Date-Added = {2013-06-19 17:27:08 +0000},
36 Date-Modified = {2013-06-19 17:28:03 +0000},
37 Journal = {Molecular Physics},
38 Number = {4},
39 Pages = {283-289},
40 Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
41 Volume = {99},
42 Year = {2001}}
43
44 @article{Hess02,
45 Author = {B. Hess},
46 Date-Added = {2013-06-19 17:19:04 +0000},
47 Date-Modified = {2013-06-19 17:20:27 +0000},
48 Journal = {J. Chem. Phys.},
49 Number = {1},
50 Pages = {209-217},
51 Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
52 Volume = {116},
53 Year = {2002}}
54
55 @article{Balasubramanian99,
56 Author = {S. Balasubramanian, C. J. Mundy},
57 Date-Added = {2013-06-13 16:47:33 +0000},
58 Date-Modified = {2013-06-13 16:49:21 +0000},
59 Journal = {Bull. Mater. Sci.},
60 Number = {5},
61 Pages = {873-876},
62 Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
63 Volume = {22},
64 Year = {1999}}
65
66 @article{Arbuckle02,
67 Author = {B. W. Arbuckle, P. Clancy},
68 Date-Added = {2013-04-26 19:34:32 +0000},
69 Date-Modified = {2013-04-26 19:35:37 +0000},
70 Journal = {J. Chem. Phys.},
71 Number = {12},
72 Pages = {5090-5098},
73 Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
74 Volume = {116},
75 Year = {2002}}
76
77 @article{Baez95,
78 Author = {L. A. Baez, P. Clancy},
79 Date-Added = {2013-04-17 20:31:40 +0000},
80 Date-Modified = {2013-04-17 20:32:34 +0000},
81 Journal = {J. Chem. Phys.},
82 Number = {22},
83 Pages = {9744-9755},
84 Title = {Phase equilibria in extended simple point charge ice-water systems},
85 Volume = {103},
86 Year = {1995}}
87
88 @article{Nada95,
89 Author = {H. Nada, Y. Furukawa},
90 Date-Added = {2013-04-17 18:46:57 +0000},
91 Date-Modified = {2013-04-17 18:48:19 +0000},
92 Journal = {Jpn. J. Appl. Phys.},
93 Pages = {583-588},
94 Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
95 Volume = {34},
96 Year = {1995}}
97
98 @article{Nada03,
99 Author = {H. Nada, J. P. J. M. van der Eerden},
100 Date-Added = {2013-04-17 18:45:21 +0000},
101 Date-Modified = {2013-04-17 18:46:42 +0000},
102 Journal = {J. Chem. Phys.},
103 Number = {16},
104 Pages = {7401-7413},
105 Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-sit model for H2O},
106 Volume = {118},
107 Year = {2003}}
108
109 @article{Nada00,
110 Author = {H. Nada, Y. Furukawa},
111 Date-Added = {2013-04-17 18:43:16 +0000},
112 Date-Modified = {2013-04-17 18:44:49 +0000},
113 Journal = {Surface Science},
114 Pages = {1-16},
115 Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
116 Volume = {446},
117 Year = {2000}}
118
119 @article{Bryk02,
120 Author = {T. Bryk, A. D. J. Haymet},
121 Date-Added = {2013-04-12 18:10:25 +0000},
122 Date-Modified = {2013-04-12 18:11:48 +0000},
123 Journal = {J. Chem. Phys.},
124 Number = {22},
125 Pages = {10258-10268},
126 Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
127 Volume = {117},
128 Year = {2002}}
129
130 @article{Hayward02,
131 Author = {J. A. Hayward, A. D. J. Haymet},
132 Date-Added = {2013-04-10 20:51:16 +0000},
133 Date-Modified = {2013-04-10 20:52:36 +0000},
134 Journal = {Phys. Chem. Chem. Phys.},
135 Pages = {3712-3719},
136 Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
137 Volume = {4},
138 Year = {2002}}
139
140 @article{Rick01,
141 Author = {S. W. Rick},
142 Date-Added = {2013-04-10 20:46:33 +0000},
143 Date-Modified = {2013-04-10 20:47:32 +0000},
144 Journal = {J. Chem. Phys.},
145 Number = {5},
146 Pages = {2276-2283},
147 Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
148 Volume = {114},
149 Year = {2001}}
150
151 @article{Hayward01,
152 Author = {J. A. Hayward, A. D. J. Haymet},
153 Date-Added = {2013-04-10 19:52:17 +0000},
154 Date-Modified = {2013-04-10 19:54:48 +0000},
155 Journal = {J. Chem. Phys.},
156 Number = {8},
157 Pages = {3713-3726},
158 Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
159 Volume = {114},
160 Year = {2001}}
161
162 @article{Beaglehole93,
163 Author = {D. Beaglehole, P. Wilson},
164 Date-Added = {2013-01-25 22:22:46 +0000},
165 Date-Modified = {2013-01-25 22:23:28 +0000},
166 Journal = {J. Phys. Chem.},
167 Pages = {11053-11055},
168 Title = {Thickness and Anisotropy of the Ice-Water Interface},
169 Volume = {97},
170 Year = {1993}}
171
172 @article{Barnaal67,
173 Author = {D. E. Barnaal, I. J. Lowe},
174 Date-Added = {2013-01-25 22:17:46 +0000},
175 Date-Modified = {2013-01-25 22:22:39 +0000},
176 Journal = {J. Chem. Phys.},
177 Number = {12},
178 Pages = {4800- 4809},
179 Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
180 Volume = {46},
181 Year = {1967}}
182
183 @article{Peterson57,
184 Author = {S. W. Peterson, H. A. Levy},
185 Date-Added = {2013-01-25 22:16:38 +0000},
186 Date-Modified = {2013-01-25 22:17:41 +0000},
187 Journal = {Acta Cryst.},
188 Pages = {70-76},
189 Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
190 Volume = {10},
191 Year = {1957}}
192
193 @article{Huler76,
194 Author = {E. Huler, A. Zunger},
195 Date-Added = {2013-01-25 22:12:37 +0000},
196 Date-Modified = {2013-01-25 22:13:46 +0000},
197 Journal = {J. Chem. Phys.},
198 Pages = {433-440},
199 Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
200 Volume = {13},
201 Year = {1976}}
202
203 @article{Weber83,
204 Author = {T. A. Weber, F. H. Stillinger},
205 Date-Added = {2013-01-25 22:08:55 +0000},
206 Date-Modified = {2013-01-25 22:12:35 +0000},
207 Journal = {J. Phys. Chem.},
208 Pages = {4277-4281},
209 Title = {Molecular Dynamics Study of Ice Crystallite Melting},
210 Volume = {87},
211 Year = {1983}}
212
213 @article{Rahman72,
214 Author = {A. Rahman, F. H. Stillinger},
215 Date-Added = {2013-01-25 22:07:43 +0000},
216 Date-Modified = {2013-01-25 22:12:09 +0000},
217 Journal = {J. Chem. Phys.},
218 Number = {9},
219 Pages = {4009-4017},
220 Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
221 Volume = {57},
222 Year = {1972}}
223
224 @article{Santry72,
225 Author = {D. P. Santry},
226 Date-Added = {2013-01-25 22:05:34 +0000},
227 Date-Modified = {2013-01-25 22:12:17 +0000},
228 Journal = {JACS},
229 Pages = {8311-8316},
230 Title = {Molecular Orbital Studies on Hexagonal Ice},
231 Volume = {94},
232 Year = {1972}}
233
234 @article{Townsend83,
235 Author = {M. Townsend, S. A. Rice},
236 Date-Added = {2013-01-25 22:04:31 +0000},
237 Date-Modified = {2013-01-25 22:12:24 +0000},
238 Journal = {J. Chem. Phys.},
239 Pages = {2496-2498},
240 Title = {A test of an effective pair potential for liquid water},
241 Volume = {79},
242 Year = {1983}}
243
244 @article{Deutsch83,
245 Author = {P. W. Deutsch, B. N. Hale, R. C. Ward, D. A. Reago Jr.},
246 Date-Added = {2013-01-25 22:01:53 +0000},
247 Date-Modified = {2013-01-25 22:10:54 +0000},
248 Journal = {J. Phys. Chem.},
249 Pages = {4309-4311},
250 Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
251 Volume = {87},
252 Year = {1983}}
253
254 @article{Davidson84,
255 Author = {E. R. Davidson, K. Morokuma},
256 Date-Added = {2013-01-25 22:00:42 +0000},
257 Date-Modified = {2013-01-25 22:10:46 +0000},
258 Journal = {J. Chem. Phys.},
259 Pages = {3741-3742},
260 Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
261 Volume = {81},
262 Year = {1984}}
263
264 @article{Cota77,
265 Author = {E. Cota, W. G. Hoover},
266 Date-Added = {2013-01-25 21:59:33 +0000},
267 Date-Modified = {2013-01-25 22:10:39 +0000},
268 Journal = {J. Chem. Phys.},
269 Number = {8},
270 Pages = {3839},
271 Title = {Computer simulation of hexagonal ice},
272 Volume = {67},
273 Year = {1977}}
274
275 @article{Gay02,
276 Author = {S. C. Gay, E. J. Smith, A. D. J. Haymet},
277 Date-Added = {2013-01-25 21:57:19 +0000},
278 Date-Modified = {2013-01-25 22:11:04 +0000},
279 Journal = {J. Chem. Phys.},
280 Number = {20},
281 Pages = {8876-8880},
282 Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
283 Volume = {116},
284 Year = {2002}}
285
286 @article{Karim90,
287 Author = {O. A. Karim, A. D. J. Haymet},
288 Date-Added = {2013-01-25 21:55:59 +0000},
289 Date-Modified = {2013-01-25 22:11:50 +0000},
290 Journal = {J. Chem. Phys.},
291 Pages = {4634},
292 Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
293 Volume = {92},
294 Year = {1990}}
295
296 @article{Karim88,
297 Author = {O. A. Karim, A. D. J. Haymet},
298 Date-Added = {2013-01-25 21:53:57 +0000},
299 Date-Modified = {2013-01-25 22:11:43 +0000},
300 Journal = {J. Chem. Phys.},
301 Pages = {6889},
302 Title = {The ice/water interface: A molecular dynamics simulation study},
303 Volume = {11},
304 Year = {1988}}
305
306 @article{Karim87,
307 Author = {O. A. Karim, A. D. J. Haymet},
308 Date-Added = {2013-01-25 21:52:35 +0000},
309 Date-Modified = {2013-01-25 22:11:35 +0000},
310 Journal = {Chem. Phys. Letters},
311 Number = {6},
312 Pages = {531-534},
313 Title = {The Ice/Water Interface},
314 Volume = {138},
315 Year = {1987}}
316
317 @article{Batista01,
318 Author = {E. R. Batista, H. Jonsson},
319 Date-Added = {2013-01-25 21:50:07 +0000},
320 Date-Modified = {2013-01-25 21:52:26 +0000},
321 Journal = {Computational Materials Science},
322 Pages = {325-336},
323 Title = {Diffusion and Island formation of the ice Ih basal plane surface},
324 Volume = {20},
325 Year = {2001}}
326
327 @article{Campo10,
328 Author = {M. G. Campo},
329 Date-Added = {2013-01-25 21:48:02 +0000},
330 Date-Modified = {2013-01-25 21:48:44 +0000},
331 Journal = {Papers in Physics},
332 Pages = {020001},
333 Title = {Structural and dynamic properties of SPC/E water},
334 Volume = {2},
335 Year = {2010}}
336
337 @article{Vega05,
338 Author = {C. Vega, E. Sanz, J. L. F. Abascal},
339 Date-Added = {2013-01-25 21:44:43 +0000},
340 Date-Modified = {2013-01-25 22:12:30 +0000},
341 Journal = {J. Chem. Phys.},
342 Pages = {114507},
343 Title = {The melting temperature of the most common models of water},
344 Volume = {122},
345 Year = {2005}}
346
347 @article{Kumar09,
348 Author = {P. Kumar, S. V. Buldyrev, H. E. Stanley},
349 Date-Added = {2013-01-25 21:42:09 +0000},
350 Date-Modified = {2013-01-25 21:44:12 +0000},
351 Journal = {PNAS},
352 Number = {52},
353 Pages = {22130-22134},
354 Title = {A tetrahedral entropy for water},
355 Volume = {106},
356 Year = {2009}}
357
358 @article{Errington01,
359 Author = {J. R. Errington, P. G. Debenedetti},
360 Date-Added = {2013-01-25 21:40:29 +0000},
361 Date-Modified = {2013-01-25 21:41:48 +0000},
362 Journal = {Nature},
363 Pages = {318-321},
364 Title = {Relationship between structural order and the anomalies of liquid water},
365 Volume = {409},
366 Year = {2001}}
367
368 @article{Chau98,
369 Author = {P. L. Chau, A. J. Hardwick},
370 Date-Added = {2013-01-25 21:39:31 +0000},
371 Date-Modified = {2013-01-25 21:40:24 +0000},
372 Journal = {Molecular Physics},
373 Number = {3},
374 Pages = {511-518},
375 Title = {A new order parameter for tetrahedral configurations},
376 Volume = {93},
377 Year = {1998}}
378
379 @article{Kuang12,
380 Author = {S. Kuang, J. D. Gezelter},
381 Date-Added = {2013-01-25 21:35:01 +0000},
382 Date-Modified = {2013-01-25 21:36:21 +0000},
383 Journal = {Molecular Physics},
384 Pages = {691-701},
385 Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
386 Volume = {110},
387 Year = {2012}}
388
389 @article{Kuang10,
390 Author = {S. Kuang, J. D. Gezelter},
391 Date-Added = {2013-01-25 21:27:09 +0000},
392 Date-Modified = {2013-01-25 22:11:56 +0000},
393 Journal = {J. Chem. Phys.},
394 Pages = {164101},
395 Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
396 Volume = {133},
397 Year = {2010}}
398
399 @article{Hirsch04,
400 Author = {T. K. Hirsch, L. Ojamae},
401 Date-Added = {2013-01-25 21:10:43 +0000},
402 Date-Modified = {2013-01-25 22:11:11 +0000},
403 Journal = {J. Phys. Chem.},
404 Pages = {15856-15864},
405 Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
406 Volume = {108},
407 Year = {2004}}
408
409 @article{Berendsen87,
410 Author = {H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma},
411 Date-Added = {2013-01-25 21:04:56 +0000},
412 Date-Modified = {2013-01-25 22:10:18 +0000},
413 Journal = {JACS},
414 Number = {24},
415 Pages = {6269-6271},
416 Title = {The Missing Term In Effective Pair Potentials},
417 Volume = {91},
418 Year = {1987}}