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# Content
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 13:40:03 -0400
6
7
8 %% Saved with string encoding Unicode (UTF-8)
9
10
11
12 @article{Smith93,
13 Author = {P. E. Smith, W F. van Gunsteren},
14 Date-Added = {2013-06-19 17:39:04 +0000},
15 Date-Modified = {2013-06-19 17:40:01 +0000},
16 Journal = {Chem. Phys. Letters},
17 Number = {4},
18 Pages = {315-318},
19 Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
20 Volume = {215},
21 Year = {1993}}
22
23 @article{Gonzalez10,
24 Author = {M. A. Gonzalez, J. L. F. Abascal},
25 Date-Added = {2013-06-19 17:30:15 +0000},
26 Date-Modified = {2013-06-19 17:31:54 +0000},
27 Journal = {J. Chem. Phys.},
28 Pages = {096101-1},
29 Title = {The shear viscosity of rigid water models},
30 Volume = {132},
31 Year = {2010}}
32
33 @article{Balasubramanian96,
34 Author = {S. Balasubramanian, C. J. Mundy, M. L. Klein},
35 Date-Added = {2013-06-19 17:28:24 +0000},
36 Date-Modified = {2013-06-19 17:29:47 +0000},
37 Journal = {J. Chem. Phys.},
38 Number = {24},
39 Pages = {11190-11195},
40 Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
41 Volume = {105},
42 Year = {1996}}
43
44 @article{Guo01,
45 Author = {G. Guo, Y. Zhang},
46 Date-Added = {2013-06-19 17:27:08 +0000},
47 Date-Modified = {2013-06-19 17:28:03 +0000},
48 Journal = {Molecular Physics},
49 Number = {4},
50 Pages = {283-289},
51 Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
52 Volume = {99},
53 Year = {2001}}
54
55 @article{Hess02,
56 Author = {B. Hess},
57 Date-Added = {2013-06-19 17:19:04 +0000},
58 Date-Modified = {2013-06-19 17:20:27 +0000},
59 Journal = {J. Chem. Phys.},
60 Number = {1},
61 Pages = {209-217},
62 Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
63 Volume = {116},
64 Year = {2002}}
65
66 @article{Balasubramanian99,
67 Author = {S. Balasubramanian, C. J. Mundy},
68 Date-Added = {2013-06-13 16:47:33 +0000},
69 Date-Modified = {2013-06-13 16:49:21 +0000},
70 Journal = {Bull. Mater. Sci.},
71 Number = {5},
72 Pages = {873-876},
73 Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
74 Volume = {22},
75 Year = {1999}}
76
77 @article{Arbuckle02,
78 Author = {B. W. Arbuckle, P. Clancy},
79 Date-Added = {2013-04-26 19:34:32 +0000},
80 Date-Modified = {2013-04-26 19:35:37 +0000},
81 Journal = {J. Chem. Phys.},
82 Number = {12},
83 Pages = {5090-5098},
84 Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
85 Volume = {116},
86 Year = {2002}}
87
88 @article{Baez95,
89 Author = {L. A. Baez, P. Clancy},
90 Date-Added = {2013-04-17 20:31:40 +0000},
91 Date-Modified = {2013-04-17 20:32:34 +0000},
92 Journal = {J. Chem. Phys.},
93 Number = {22},
94 Pages = {9744-9755},
95 Title = {Phase equilibria in extended simple point charge ice-water systems},
96 Volume = {103},
97 Year = {1995}}
98
99 @article{Nada95,
100 Author = {H. Nada, Y. Furukawa},
101 Date-Added = {2013-04-17 18:46:57 +0000},
102 Date-Modified = {2013-04-17 18:48:19 +0000},
103 Journal = {Jpn. J. Appl. Phys.},
104 Pages = {583-588},
105 Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
106 Volume = {34},
107 Year = {1995}}
108
109 @article{Nada03,
110 Author = {H. Nada, J. P. J. M. van der Eerden},
111 Date-Added = {2013-04-17 18:45:21 +0000},
112 Date-Modified = {2013-04-17 18:46:42 +0000},
113 Journal = {J. Chem. Phys.},
114 Number = {16},
115 Pages = {7401-7413},
116 Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-sit model for H2O},
117 Volume = {118},
118 Year = {2003}}
119
120 @article{Nada00,
121 Author = {H. Nada, Y. Furukawa},
122 Date-Added = {2013-04-17 18:43:16 +0000},
123 Date-Modified = {2013-04-17 18:44:49 +0000},
124 Journal = {Surface Science},
125 Pages = {1-16},
126 Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
127 Volume = {446},
128 Year = {2000}}
129
130 @article{Bryk02,
131 Author = {T. Bryk, A. D. J. Haymet},
132 Date-Added = {2013-04-12 18:10:25 +0000},
133 Date-Modified = {2013-04-12 18:11:48 +0000},
134 Journal = {J. Chem. Phys.},
135 Number = {22},
136 Pages = {10258-10268},
137 Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
138 Volume = {117},
139 Year = {2002}}
140
141 @article{Hayward02,
142 Author = {J. A. Hayward, A. D. J. Haymet},
143 Date-Added = {2013-04-10 20:51:16 +0000},
144 Date-Modified = {2013-04-10 20:52:36 +0000},
145 Journal = {Phys. Chem. Chem. Phys.},
146 Pages = {3712-3719},
147 Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
148 Volume = {4},
149 Year = {2002}}
150
151 @article{Rick01,
152 Author = {S. W. Rick},
153 Date-Added = {2013-04-10 20:46:33 +0000},
154 Date-Modified = {2013-04-10 20:47:32 +0000},
155 Journal = {J. Chem. Phys.},
156 Number = {5},
157 Pages = {2276-2283},
158 Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
159 Volume = {114},
160 Year = {2001}}
161
162 @article{Hayward01,
163 Author = {J. A. Hayward, A. D. J. Haymet},
164 Date-Added = {2013-04-10 19:52:17 +0000},
165 Date-Modified = {2013-04-10 19:54:48 +0000},
166 Journal = {J. Chem. Phys.},
167 Number = {8},
168 Pages = {3713-3726},
169 Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
170 Volume = {114},
171 Year = {2001}}
172
173 @article{Beaglehole93,
174 Author = {D. Beaglehole, P. Wilson},
175 Date-Added = {2013-01-25 22:22:46 +0000},
176 Date-Modified = {2013-01-25 22:23:28 +0000},
177 Journal = {J. Phys. Chem.},
178 Pages = {11053-11055},
179 Title = {Thickness and Anisotropy of the Ice-Water Interface},
180 Volume = {97},
181 Year = {1993}}
182
183 @article{Barnaal67,
184 Author = {D. E. Barnaal, I. J. Lowe},
185 Date-Added = {2013-01-25 22:17:46 +0000},
186 Date-Modified = {2013-01-25 22:22:39 +0000},
187 Journal = {J. Chem. Phys.},
188 Number = {12},
189 Pages = {4800- 4809},
190 Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
191 Volume = {46},
192 Year = {1967}}
193
194 @article{Peterson57,
195 Author = {S. W. Peterson, H. A. Levy},
196 Date-Added = {2013-01-25 22:16:38 +0000},
197 Date-Modified = {2013-01-25 22:17:41 +0000},
198 Journal = {Acta Cryst.},
199 Pages = {70-76},
200 Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
201 Volume = {10},
202 Year = {1957}}
203
204 @article{Huler76,
205 Author = {E. Huler, A. Zunger},
206 Date-Added = {2013-01-25 22:12:37 +0000},
207 Date-Modified = {2013-01-25 22:13:46 +0000},
208 Journal = {J. Chem. Phys.},
209 Pages = {433-440},
210 Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
211 Volume = {13},
212 Year = {1976}}
213
214 @article{Weber83,
215 Author = {T. A. Weber, F. H. Stillinger},
216 Date-Added = {2013-01-25 22:08:55 +0000},
217 Date-Modified = {2013-01-25 22:12:35 +0000},
218 Journal = {J. Phys. Chem.},
219 Pages = {4277-4281},
220 Title = {Molecular Dynamics Study of Ice Crystallite Melting},
221 Volume = {87},
222 Year = {1983}}
223
224 @article{Rahman72,
225 Author = {A. Rahman, F. H. Stillinger},
226 Date-Added = {2013-01-25 22:07:43 +0000},
227 Date-Modified = {2013-01-25 22:12:09 +0000},
228 Journal = {J. Chem. Phys.},
229 Number = {9},
230 Pages = {4009-4017},
231 Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
232 Volume = {57},
233 Year = {1972}}
234
235 @article{Santry72,
236 Author = {D. P. Santry},
237 Date-Added = {2013-01-25 22:05:34 +0000},
238 Date-Modified = {2013-01-25 22:12:17 +0000},
239 Journal = {JACS},
240 Pages = {8311-8316},
241 Title = {Molecular Orbital Studies on Hexagonal Ice},
242 Volume = {94},
243 Year = {1972}}
244
245 @article{Townsend83,
246 Author = {M. Townsend, S. A. Rice},
247 Date-Added = {2013-01-25 22:04:31 +0000},
248 Date-Modified = {2013-01-25 22:12:24 +0000},
249 Journal = {J. Chem. Phys.},
250 Pages = {2496-2498},
251 Title = {A test of an effective pair potential for liquid water},
252 Volume = {79},
253 Year = {1983}}
254
255 @article{Deutsch83,
256 Author = {P. W. Deutsch, B. N. Hale, R. C. Ward, D. A. Reago Jr.},
257 Date-Added = {2013-01-25 22:01:53 +0000},
258 Date-Modified = {2013-01-25 22:10:54 +0000},
259 Journal = {J. Phys. Chem.},
260 Pages = {4309-4311},
261 Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
262 Volume = {87},
263 Year = {1983}}
264
265 @article{Davidson84,
266 Author = {E. R. Davidson, K. Morokuma},
267 Date-Added = {2013-01-25 22:00:42 +0000},
268 Date-Modified = {2013-01-25 22:10:46 +0000},
269 Journal = {J. Chem. Phys.},
270 Pages = {3741-3742},
271 Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
272 Volume = {81},
273 Year = {1984}}
274
275 @article{Cota77,
276 Author = {E. Cota, W. G. Hoover},
277 Date-Added = {2013-01-25 21:59:33 +0000},
278 Date-Modified = {2013-01-25 22:10:39 +0000},
279 Journal = {J. Chem. Phys.},
280 Number = {8},
281 Pages = {3839},
282 Title = {Computer simulation of hexagonal ice},
283 Volume = {67},
284 Year = {1977}}
285
286 @article{Gay02,
287 Author = {S. C. Gay, E. J. Smith, A. D. J. Haymet},
288 Date-Added = {2013-01-25 21:57:19 +0000},
289 Date-Modified = {2013-01-25 22:11:04 +0000},
290 Journal = {J. Chem. Phys.},
291 Number = {20},
292 Pages = {8876-8880},
293 Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
294 Volume = {116},
295 Year = {2002}}
296
297 @article{Karim90,
298 Author = {O. A. Karim, A. D. J. Haymet},
299 Date-Added = {2013-01-25 21:55:59 +0000},
300 Date-Modified = {2013-01-25 22:11:50 +0000},
301 Journal = {J. Chem. Phys.},
302 Pages = {4634},
303 Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
304 Volume = {92},
305 Year = {1990}}
306
307 @article{Karim88,
308 Author = {O. A. Karim, A. D. J. Haymet},
309 Date-Added = {2013-01-25 21:53:57 +0000},
310 Date-Modified = {2013-01-25 22:11:43 +0000},
311 Journal = {J. Chem. Phys.},
312 Pages = {6889},
313 Title = {The ice/water interface: A molecular dynamics simulation study},
314 Volume = {11},
315 Year = {1988}}
316
317 @article{Karim87,
318 Author = {O. A. Karim, A. D. J. Haymet},
319 Date-Added = {2013-01-25 21:52:35 +0000},
320 Date-Modified = {2013-01-25 22:11:35 +0000},
321 Journal = {Chem. Phys. Letters},
322 Number = {6},
323 Pages = {531-534},
324 Title = {The Ice/Water Interface},
325 Volume = {138},
326 Year = {1987}}
327
328 @article{Batista01,
329 Author = {E. R. Batista, H. Jonsson},
330 Date-Added = {2013-01-25 21:50:07 +0000},
331 Date-Modified = {2013-01-25 21:52:26 +0000},
332 Journal = {Computational Materials Science},
333 Pages = {325-336},
334 Title = {Diffusion and Island formation of the ice Ih basal plane surface},
335 Volume = {20},
336 Year = {2001}}
337
338 @article{Campo10,
339 Author = {M. G. Campo},
340 Date-Added = {2013-01-25 21:48:02 +0000},
341 Date-Modified = {2013-01-25 21:48:44 +0000},
342 Journal = {Papers in Physics},
343 Pages = {020001},
344 Title = {Structural and dynamic properties of SPC/E water},
345 Volume = {2},
346 Year = {2010}}
347
348 @article{Vega05,
349 Author = {C. Vega, E. Sanz, J. L. F. Abascal},
350 Date-Added = {2013-01-25 21:44:43 +0000},
351 Date-Modified = {2013-01-25 22:12:30 +0000},
352 Journal = {J. Chem. Phys.},
353 Pages = {114507},
354 Title = {The melting temperature of the most common models of water},
355 Volume = {122},
356 Year = {2005}}
357
358 @article{Kumar09,
359 Author = {P. Kumar, S. V. Buldyrev, H. E. Stanley},
360 Date-Added = {2013-01-25 21:42:09 +0000},
361 Date-Modified = {2013-01-25 21:44:12 +0000},
362 Journal = {PNAS},
363 Number = {52},
364 Pages = {22130-22134},
365 Title = {A tetrahedral entropy for water},
366 Volume = {106},
367 Year = {2009}}
368
369 @article{Errington01,
370 Author = {J. R. Errington, P. G. Debenedetti},
371 Date-Added = {2013-01-25 21:40:29 +0000},
372 Date-Modified = {2013-01-25 21:41:48 +0000},
373 Journal = {Nature},
374 Pages = {318-321},
375 Title = {Relationship between structural order and the anomalies of liquid water},
376 Volume = {409},
377 Year = {2001}}
378
379 @article{Chau98,
380 Author = {P. L. Chau, A. J. Hardwick},
381 Date-Added = {2013-01-25 21:39:31 +0000},
382 Date-Modified = {2013-01-25 21:40:24 +0000},
383 Journal = {Molecular Physics},
384 Number = {3},
385 Pages = {511-518},
386 Title = {A new order parameter for tetrahedral configurations},
387 Volume = {93},
388 Year = {1998}}
389
390 @article{Kuang12,
391 Author = {S. Kuang, J. D. Gezelter},
392 Date-Added = {2013-01-25 21:35:01 +0000},
393 Date-Modified = {2013-01-25 21:36:21 +0000},
394 Journal = {Molecular Physics},
395 Pages = {691-701},
396 Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
397 Volume = {110},
398 Year = {2012}}
399
400 @article{Kuang10,
401 Author = {S. Kuang, J. D. Gezelter},
402 Date-Added = {2013-01-25 21:27:09 +0000},
403 Date-Modified = {2013-01-25 22:11:56 +0000},
404 Journal = {J. Chem. Phys.},
405 Pages = {164101},
406 Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
407 Volume = {133},
408 Year = {2010}}
409
410 @article{Hirsch04,
411 Author = {T. K. Hirsch, L. Ojamae},
412 Date-Added = {2013-01-25 21:10:43 +0000},
413 Date-Modified = {2013-01-25 22:11:11 +0000},
414 Journal = {J. Phys. Chem.},
415 Pages = {15856-15864},
416 Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
417 Volume = {108},
418 Year = {2004}}
419
420 @article{Berendsen87,
421 Author = {H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma},
422 Date-Added = {2013-01-25 21:04:56 +0000},
423 Date-Modified = {2013-01-25 22:10:18 +0000},
424 Journal = {JACS},
425 Number = {24},
426 Pages = {6269-6271},
427 Title = {The Missing Term In Effective Pair Potentials},
428 Volume = {91},
429 Year = {1987}}