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root/group/trunk/iceWater/iceWater.bib
Revision: 3916
Committed: Fri Jul 12 19:12:57 2013 UTC (12 years, 2 months ago) by plouden
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added .agr files, i hope

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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 2013-07-11 17:35:08 -0400
6
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8 %% Saved with string encoding Unicode (UTF-8)
9
10
11
12 @article{Davidchack12,
13 Author = {Davidchack, Ruslan L. and Handel, Richard and Anwar, Jamshed and Brukhno, Andrey V.},
14 Date-Added = {2013-07-11 21:25:47 +0000},
15 Date-Modified = {2013-07-11 21:34:56 +0000},
16 Doi = {10.1021/ct300193e},
17 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
18 Journal = {Journal of Chemical Theory and Computation},
19 Number = {7},
20 Pages = {2383-2390},
21 Title = {Ice Ih--Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions},
22 Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
23 Volume = {8},
24 Year = {2012},
25 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
26 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
27
28 @article{Armstrong13,
29 Author = {J. A. Armstrong, F. Bresme},
30 Date-Added = {2013-07-11 19:35:13 +0000},
31 Date-Modified = {2013-07-11 19:36:40 +0000},
32 Journal = {J. Chem. Phys.},
33 Pages = {014504},
34 Title = {Water polarization induced by thermal gradients: Te extended simple point charge model (SPC/E)},
35 Volume = {139},
36 Year = {2013}}
37
38 @article{Smith93,
39 Author = {P. E. Smith, W F. van Gunsteren},
40 Date-Added = {2013-06-19 17:39:04 +0000},
41 Date-Modified = {2013-06-19 17:40:01 +0000},
42 Journal = {Chem. Phys. Letters},
43 Number = {4},
44 Pages = {315-318},
45 Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
46 Volume = {215},
47 Year = {1993}}
48
49 @article{Gonzalez10,
50 Author = {M. A. Gonzalez, J. L. F. Abascal},
51 Date-Added = {2013-06-19 17:30:15 +0000},
52 Date-Modified = {2013-06-19 17:31:54 +0000},
53 Journal = {J. Chem. Phys.},
54 Pages = {096101-1},
55 Title = {The shear viscosity of rigid water models},
56 Volume = {132},
57 Year = {2010}}
58
59 @article{Balasubramanian96,
60 Author = {S. Balasubramanian, C. J. Mundy, M. L. Klein},
61 Date-Added = {2013-06-19 17:28:24 +0000},
62 Date-Modified = {2013-06-19 17:29:47 +0000},
63 Journal = {J. Chem. Phys.},
64 Number = {24},
65 Pages = {11190-11195},
66 Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
67 Volume = {105},
68 Year = {1996}}
69
70 @article{Guo01,
71 Author = {G. Guo, Y. Zhang},
72 Date-Added = {2013-06-19 17:27:08 +0000},
73 Date-Modified = {2013-06-19 17:28:03 +0000},
74 Journal = {Molecular Physics},
75 Number = {4},
76 Pages = {283-289},
77 Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
78 Volume = {99},
79 Year = {2001}}
80
81 @article{Hess02,
82 Author = {B. Hess},
83 Date-Added = {2013-06-19 17:19:04 +0000},
84 Date-Modified = {2013-06-19 17:20:27 +0000},
85 Journal = {J. Chem. Phys.},
86 Number = {1},
87 Pages = {209-217},
88 Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
89 Volume = {116},
90 Year = {2002}}
91
92 @article{Balasubramanian99,
93 Author = {S. Balasubramanian, C. J. Mundy},
94 Date-Added = {2013-06-13 16:47:33 +0000},
95 Date-Modified = {2013-06-13 16:49:21 +0000},
96 Journal = {Bull. Mater. Sci.},
97 Number = {5},
98 Pages = {873-876},
99 Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
100 Volume = {22},
101 Year = {1999}}
102
103 @article{Arbuckle02,
104 Author = {B. W. Arbuckle, P. Clancy},
105 Date-Added = {2013-04-26 19:34:32 +0000},
106 Date-Modified = {2013-04-26 19:35:37 +0000},
107 Journal = {J. Chem. Phys.},
108 Number = {12},
109 Pages = {5090-5098},
110 Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
111 Volume = {116},
112 Year = {2002}}
113
114 @article{Nada95,
115 Author = {H. Nada, Y. Furukawa},
116 Date-Added = {2013-04-17 18:46:57 +0000},
117 Date-Modified = {2013-04-17 18:48:19 +0000},
118 Journal = {Jpn. J. Appl. Phys.},
119 Pages = {583-588},
120 Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
121 Volume = {34},
122 Year = {1995}}
123
124 @article{Nada00,
125 Author = {H. Nada, Y. Furukawa},
126 Date-Added = {2013-04-17 18:43:16 +0000},
127 Date-Modified = {2013-04-17 18:44:49 +0000},
128 Journal = {Surface Science},
129 Pages = {1-16},
130 Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
131 Volume = {446},
132 Year = {2000}}
133
134 @article{Hayward02,
135 Author = {J. A. Hayward, A. D. J. Haymet},
136 Date-Added = {2013-04-10 20:51:16 +0000},
137 Date-Modified = {2013-04-10 20:52:36 +0000},
138 Journal = {Phys. Chem. Chem. Phys.},
139 Pages = {3712-3719},
140 Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
141 Volume = {4},
142 Year = {2002}}
143
144 @article{Rick01,
145 Author = {S. W. Rick},
146 Date-Added = {2013-04-10 20:46:33 +0000},
147 Date-Modified = {2013-04-10 20:47:32 +0000},
148 Journal = {J. Chem. Phys.},
149 Number = {5},
150 Pages = {2276-2283},
151 Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
152 Volume = {114},
153 Year = {2001}}
154
155 @article{Hayward01,
156 Author = {J. A. Hayward, A. D. J. Haymet},
157 Date-Added = {2013-04-10 19:52:17 +0000},
158 Date-Modified = {2013-04-10 19:54:48 +0000},
159 Journal = {J. Chem. Phys.},
160 Number = {8},
161 Pages = {3713-3726},
162 Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
163 Volume = {114},
164 Year = {2001}}
165
166 @article{Beaglehole93,
167 Author = {D. Beaglehole, P. Wilson},
168 Date-Added = {2013-01-25 22:22:46 +0000},
169 Date-Modified = {2013-01-25 22:23:28 +0000},
170 Journal = {J. Phys. Chem.},
171 Pages = {11053-11055},
172 Title = {Thickness and Anisotropy of the Ice-Water Interface},
173 Volume = {97},
174 Year = {1993}}
175
176 @article{Barnaal67,
177 Author = {D. E. Barnaal, I. J. Lowe},
178 Date-Added = {2013-01-25 22:17:46 +0000},
179 Date-Modified = {2013-01-25 22:22:39 +0000},
180 Journal = {J. Chem. Phys.},
181 Number = {12},
182 Pages = {4800- 4809},
183 Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
184 Volume = {46},
185 Year = {1967}}
186
187 @article{Peterson57,
188 Author = {S. W. Peterson, H. A. Levy},
189 Date-Added = {2013-01-25 22:16:38 +0000},
190 Date-Modified = {2013-01-25 22:17:41 +0000},
191 Journal = {Acta Cryst.},
192 Pages = {70-76},
193 Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
194 Volume = {10},
195 Year = {1957}}
196
197 @article{Huler76,
198 Author = {E. Huler, A. Zunger},
199 Date-Added = {2013-01-25 22:12:37 +0000},
200 Date-Modified = {2013-01-25 22:13:46 +0000},
201 Journal = {J. Chem. Phys.},
202 Pages = {433-440},
203 Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
204 Volume = {13},
205 Year = {1976}}
206
207 @article{Weber83,
208 Author = {T. A. Weber, F. H. Stillinger},
209 Date-Added = {2013-01-25 22:08:55 +0000},
210 Date-Modified = {2013-01-25 22:12:35 +0000},
211 Journal = {J. Phys. Chem.},
212 Pages = {4277-4281},
213 Title = {Molecular Dynamics Study of Ice Crystallite Melting},
214 Volume = {87},
215 Year = {1983}}
216
217 @article{Rahman72,
218 Author = {A. Rahman, F. H. Stillinger},
219 Date-Added = {2013-01-25 22:07:43 +0000},
220 Date-Modified = {2013-01-25 22:12:09 +0000},
221 Journal = {J. Chem. Phys.},
222 Number = {9},
223 Pages = {4009-4017},
224 Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
225 Volume = {57},
226 Year = {1972}}
227
228 @article{Santry72,
229 Author = {D. P. Santry},
230 Date-Added = {2013-01-25 22:05:34 +0000},
231 Date-Modified = {2013-01-25 22:12:17 +0000},
232 Journal = {JACS},
233 Pages = {8311-8316},
234 Title = {Molecular Orbital Studies on Hexagonal Ice},
235 Volume = {94},
236 Year = {1972}}
237
238 @article{Townsend83,
239 Author = {M. Townsend, S. A. Rice},
240 Date-Added = {2013-01-25 22:04:31 +0000},
241 Date-Modified = {2013-01-25 22:12:24 +0000},
242 Journal = {J. Chem. Phys.},
243 Pages = {2496-2498},
244 Title = {A test of an effective pair potential for liquid water},
245 Volume = {79},
246 Year = {1983}}
247
248 @article{Deutsch83,
249 Author = {P. W. Deutsch, B. N. Hale, R. C. Ward, D. A. Reago Jr.},
250 Date-Added = {2013-01-25 22:01:53 +0000},
251 Date-Modified = {2013-01-25 22:10:54 +0000},
252 Journal = {J. Phys. Chem.},
253 Pages = {4309-4311},
254 Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
255 Volume = {87},
256 Year = {1983}}
257
258 @article{Cota77,
259 Author = {E. Cota, W. G. Hoover},
260 Date-Added = {2013-01-25 21:59:33 +0000},
261 Date-Modified = {2013-01-25 22:10:39 +0000},
262 Journal = {J. Chem. Phys.},
263 Number = {8},
264 Pages = {3839},
265 Title = {Computer simulation of hexagonal ice},
266 Volume = {67},
267 Year = {1977}}
268
269 @article{Gay02,
270 Author = {S. C. Gay, E. J. Smith, A. D. J. Haymet},
271 Date-Added = {2013-01-25 21:57:19 +0000},
272 Date-Modified = {2013-01-25 22:11:04 +0000},
273 Journal = {J. Chem. Phys.},
274 Number = {20},
275 Pages = {8876-8880},
276 Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
277 Volume = {116},
278 Year = {2002}}
279
280 @article{Karim90,
281 Author = {O. A. Karim, A. D. J. Haymet},
282 Date-Added = {2013-01-25 21:55:59 +0000},
283 Date-Modified = {2013-01-25 22:11:50 +0000},
284 Journal = {J. Chem. Phys.},
285 Pages = {4634},
286 Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
287 Volume = {92},
288 Year = {1990}}
289
290 @article{Karim88,
291 Author = {O. A. Karim, A. D. J. Haymet},
292 Date-Added = {2013-01-25 21:53:57 +0000},
293 Date-Modified = {2013-01-25 22:11:43 +0000},
294 Journal = {J. Chem. Phys.},
295 Pages = {6889},
296 Title = {The ice/water interface: A molecular dynamics simulation study},
297 Volume = {11},
298 Year = {1988}}
299
300 @article{Karim87,
301 Author = {O. A. Karim, A. D. J. Haymet},
302 Date-Added = {2013-01-25 21:52:35 +0000},
303 Date-Modified = {2013-01-25 22:11:35 +0000},
304 Journal = {Chem. Phys. Letters},
305 Number = {6},
306 Pages = {531-534},
307 Title = {The Ice/Water Interface},
308 Volume = {138},
309 Year = {1987}}
310
311 @article{Batista01,
312 Author = {E. R. Batista, H. Jonsson},
313 Date-Added = {2013-01-25 21:50:07 +0000},
314 Date-Modified = {2013-01-25 21:52:26 +0000},
315 Journal = {Computational Materials Science},
316 Pages = {325-336},
317 Title = {Diffusion and Island formation of the ice Ih basal plane surface},
318 Volume = {20},
319 Year = {2001}}
320
321 @article{Campo10,
322 Author = {M. G. Campo},
323 Date-Added = {2013-01-25 21:48:02 +0000},
324 Date-Modified = {2013-01-25 21:48:44 +0000},
325 Journal = {Papers in Physics},
326 Pages = {020001},
327 Title = {Structural and dynamic properties of SPC/E water},
328 Volume = {2},
329 Year = {2010}}
330
331 @article{Vega05,
332 Author = {C. Vega, E. Sanz, J. L. F. Abascal},
333 Date-Added = {2013-01-25 21:44:43 +0000},
334 Date-Modified = {2013-01-25 22:12:30 +0000},
335 Journal = {J. Chem. Phys.},
336 Pages = {114507},
337 Title = {The melting temperature of the most common models of water},
338 Volume = {122},
339 Year = {2005}}
340
341 @article{Kumar09,
342 Author = {P. Kumar, S. V. Buldyrev, H. E. Stanley},
343 Date-Added = {2013-01-25 21:42:09 +0000},
344 Date-Modified = {2013-01-25 21:44:12 +0000},
345 Journal = {PNAS},
346 Number = {52},
347 Pages = {22130-22134},
348 Title = {A tetrahedral entropy for water},
349 Volume = {106},
350 Year = {2009}}
351
352 @article{Errington01,
353 Author = {J. R. Errington, P. G. Debenedetti},
354 Date-Added = {2013-01-25 21:40:29 +0000},
355 Date-Modified = {2013-01-25 21:41:48 +0000},
356 Journal = {Nature},
357 Pages = {318-321},
358 Title = {Relationship between structural order and the anomalies of liquid water},
359 Volume = {409},
360 Year = {2001}}
361
362 @article{Chau98,
363 Author = {P. L. Chau, A. J. Hardwick},
364 Date-Added = {2013-01-25 21:39:31 +0000},
365 Date-Modified = {2013-01-25 21:40:24 +0000},
366 Journal = {Molecular Physics},
367 Number = {3},
368 Pages = {511-518},
369 Title = {A new order parameter for tetrahedral configurations},
370 Volume = {93},
371 Year = {1998}}
372
373 @article{Kuang12,
374 Author = {S. Kuang, J. D. Gezelter},
375 Date-Added = {2013-01-25 21:35:01 +0000},
376 Date-Modified = {2013-01-25 21:36:21 +0000},
377 Journal = {Molecular Physics},
378 Pages = {691-701},
379 Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
380 Volume = {110},
381 Year = {2012}}
382
383 @article{Kuang10,
384 Author = {S. Kuang, J. D. Gezelter},
385 Date-Added = {2013-01-25 21:27:09 +0000},
386 Date-Modified = {2013-01-25 22:11:56 +0000},
387 Journal = {J. Chem. Phys.},
388 Pages = {164101},
389 Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
390 Volume = {133},
391 Year = {2010}}
392
393 @article{Berendsen87,
394 Author = {H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma},
395 Date-Added = {2013-01-25 21:04:56 +0000},
396 Date-Modified = {2013-01-25 22:10:18 +0000},
397 Journal = {JACS},
398 Number = {24},
399 Pages = {6269-6271},
400 Title = {The Missing Term In Effective Pair Potentials},
401 Volume = {91},
402 Year = {1987}}