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1 gezelter 3897 %% This BibTeX bibliography file was created using BibDesk.
2     %% http://bibdesk.sourceforge.net/
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5 gezelter 3951 %% Created for Dan Gezelter at 2013-09-09 09:17:11 -0400
6 gezelter 3897
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11    
12 gezelter 3951 @article{Bresme08,
13     Author = {Bresme, Fernando and Lervik, Anders and Bedeaux, Dick and Kjelstrup, Signe},
14     Date-Added = {2013-09-09 13:16:41 +0000},
15     Date-Modified = {2013-09-09 13:16:47 +0000},
16     Doi = {10.1103/PhysRevLett.101.020602},
17     Issue = {2},
18     Journal = {Phys. Rev. Lett.},
19     Month = {Jul},
20     Numpages = {4},
21     Pages = {020602},
22     Publisher = {American Physical Society},
23     Title = {Water Polarization under Thermal Gradients},
24     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
25     Volume = {101},
26     Year = {2008},
27     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
28     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.020602}}
29    
30     @article{Nada03,
31     Author = {Hiroki Nada and Jan P. J. M. van der Eerden},
32     Date-Added = {2013-09-09 13:15:08 +0000},
33     Date-Modified = {2013-09-09 13:15:17 +0000},
34     Doi = {10.1063/1.1562610},
35     Journal = {The Journal of Chemical Physics},
36     Keywords = {potential energy functions; ice; water; melting point; Monte Carlo methods; thermodynamic properties; liquid structure},
37     Number = {16},
38     Pages = {7401-7413},
39     Publisher = {AIP},
40     Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-site model of H[sub 2]O},
41     Url = {http://link.aip.org/link/?JCP/118/7401/1},
42     Volume = {118},
43     Year = {2003},
44     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/7401/1},
45     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1562610}}
46    
47     @article{Wierzbicki07,
48     Author = {Wierzbicki, Andrzej and Dalal, Pranav and Cheatham, Thomas E. and Knickelbein, Jared E. and Haymet, A. D. J. and Madura, Jeffry D.},
49     Date = {2007/09/01},
50     Date-Added = {2013-09-09 13:13:07 +0000},
51     Date-Modified = {2013-09-09 13:13:15 +0000},
52     Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
53     Isbn = {0006-3495},
54     Journal = {Biophysical journal},
55     Journal1 = {Biophysical journal},
56     Journal2 = {Biophys J},
57     Month = {09},
58     Number = {5},
59     Pages = {1442--1451},
60     Publisher = {Cell Press},
61     Title = {Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins},
62     Ty = {ABST},
63     Url = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054},
64     Volume = {93},
65     Year = {2007},
66     Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054}}
67    
68     @article{Pit99,
69     Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane},
70     Booktitle = {Tribology Letters},
71     Da = {1999/09/01},
72     Date-Added = {2013-09-09 13:10:25 +0000},
73     Date-Modified = {2013-09-09 13:10:42 +0000},
74     Doi = {10.1023/A:1019161101812},
75     Isbn = {1023-8883},
76     J2 = {Tribology Letters},
77     Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface},
78     La = {English},
79     Number = {2-3},
80     Pages = {147-152},
81     Publisher = {Kluwer Academic Publishers-Plenum Publishers},
82     Title = {Friction and slip of a simple liquid at a solid surface},
83     Ty = {JOUR},
84     Url = {http://dx.doi.org/10.1023/A%3A1019161101812},
85     Volume = {7},
86     Year = {1999},
87     Bdsk-Url-1 = {http://dx.doi.org/10.1023/A%3A1019161101812},
88     Bdsk-Url-2 = {http://dx.doi.org/10.1023/A:1019161101812}}
89    
90 gezelter 3945 @article{OOPSE,
91     Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
92     Date-Added = {2013-09-03 20:42:45 +0000},
93     Date-Modified = {2013-09-03 20:42:45 +0000},
94     Doi = {10.1002/jcc.20161},
95     Issn = {1096-987X},
96     Journal = {Journal of Computational Chemistry},
97     Keywords = {OOPSE, molecular dynamics},
98     Number = {3},
99     Pages = {252--271},
100     Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
101     Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
102     Url = {http://dx.doi.org/10.1002/jcc.20161},
103     Volume = {26},
104     Year = {2005},
105     Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
106    
107     @article{Ewald,
108     Author = {C. J. Fennell and J. D. Gezelter},
109     Date-Added = {2013-09-03 20:42:37 +0000},
110     Date-Modified = {2013-09-03 20:42:37 +0000},
111     Journal = {J. Chem. Phys.},
112     Keywords = {Ewald and OpenMD},
113     Month = {June},
114     Pages = {234104},
115     Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
116     Volume = {124},
117     Year = {2006}}
118    
119     @misc{openmd,
120     Author = {J. Daniel Gezelter and Joseph Michalka and Shenyu Kuang and James Marr and Kelsey Stocker and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke},
121     Date-Added = {2013-09-03 20:42:37 +0000},
122     Date-Modified = {2013-09-03 20:42:37 +0000},
123     Howpublished = {Available at {\tt http://openmd.org}},
124     Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}}
125    
126     @article{Buch:2008fk,
127     Abstract = {The physics of the ice crystal surface and its interaction with adsorbates are not only of fundamental interest but also of considerable importance to terrestrial and planetary chemistry. Yet the atomic-level structure of even the pristine ice surface at low temperature is still far from well understood. This computational study focuses on the pattern of dangling H and dangling O (lone pairs) atoms at the basal ice surface. Dangling atoms serve as binding sites for adsorbates capable of hydrogen- and electrostatic bonding. Extension of the well known orientational disorder (``proton disorder'') of bulk crystal ice to the surface would naturally suggest a disordered dangling atom pattern; however, extensive computer simulations employing two different empirical potentials indicate significant free energy preference for a striped phase with alternating rows of dangling H and dangling O atoms, as suggested long ago by Fletcher [Fletcher NH (1992) Philos Mag 66:109--115]. The presence of striped phase domains within the basal surface is consistent with the hitherto unexplained minor fractional peaks in the helium diffraction pattern observed 10 years ago. Compared with the disordered model, the striped model yields improved agreement between computations and experimental ppp-polarized sum frequency generation spectra.},
128     Author = {Buch, V. and Groenzin, H. and Li, I. and Shultz, M. J. and Tosatti, E.},
129     Date-Added = {2013-09-03 20:15:03 +0000},
130     Date-Modified = {2013-09-03 20:15:11 +0000},
131     Doi = {10.1073/pnas.0710129105},
132     Eprint = {http://www.pnas.org/content/105/16/5969.full.pdf+html},
133     Journal = {Proceedings of the National Academy of Sciences},
134     Number = {16},
135     Pages = {5969-5974},
136     Title = {Proton order in the ice crystal surface},
137     Url = {http://www.pnas.org/content/105/16/5969.abstract},
138     Volume = {105},
139     Year = {2008},
140     Bdsk-Url-1 = {http://www.pnas.org/content/105/16/5969.abstract},
141     Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0710129105}}
142    
143     @article{Wilson08,
144     Author = {Wilson, P. W. and Haymet, A. D. J.},
145     Date-Added = {2013-09-03 20:09:39 +0000},
146     Date-Modified = {2013-09-03 20:09:47 +0000},
147     Doi = {10.1021/jp804047x},
148     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804047x},
149     Journal = {The Journal of Physical Chemistry B},
150     Note = {PMID: 18720967},
151     Number = {37},
152     Pages = {11750-11755},
153     Title = {Workman−Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces},
154     Url = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
155     Volume = {112},
156     Year = {2008},
157     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
158     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804047x}}
159    
160     @article{Nada12,
161     Author = {Nada, Hiroki and Furukawa, Yoshinori},
162     Date = {2012/07//print},
163     Date-Added = {2013-09-03 20:08:08 +0000},
164     Date-Modified = {2013-09-03 20:08:14 +0000},
165     Isbn = {0032-3896},
166     Journal = {Polym J},
167     Month = {07},
168     Number = {7},
169     Pages = {690--698},
170     Publisher = {The Society of Polymer Science, Japan},
171     Title = {Antifreeze proteins: computer simulation studies on the mechanism of ice growth inhibition},
172     Ty = {JOUR},
173     Url = {http://dx.doi.org/10.1038/pj.2012.13},
174     Volume = {44},
175     Year = {2012},
176     Bdsk-Url-1 = {http://dx.doi.org/10.1038/pj.2012.13}}
177    
178     @article{Smith05,
179     Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
180     Date-Added = {2013-09-03 20:03:24 +0000},
181     Date-Modified = {2013-09-03 20:03:30 +0000},
182     Doi = {10.1063/1.1953578},
183     Eid = {034706},
184     Journal = {The Journal of Chemical Physics},
185     Keywords = {chlorine; sodium; ice; water; positive ions; negative ions; free energy; solvation; molecular dynamics method; interface phenomena; melting point},
186     Number = {3},
187     Numpages = {16},
188     Pages = {034706},
189     Publisher = {AIP},
190     Title = {Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl[sup -] and Na[sup +] in the ice/water interface},
191     Url = {http://link.aip.org/link/?JCP/123/034706/1},
192     Volume = {123},
193     Year = {2005},
194     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/034706/1},
195     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1953578}}
196    
197     @article{Chapsky97,
198     Author = {Chapsky, Lars and Rubinsky, Boris},
199     Date = {1997/07/21},
200     Date-Added = {2013-09-03 20:02:20 +0000},
201     Date-Modified = {2013-09-03 20:02:28 +0000},
202     Id = {S0014-5793(97)00787-4},
203     Isbn = {0014-5793},
204     Journal = {FEBS letters},
205     Journal1 = {FEBS letters},
206     Journal2 = {FEBS Lett},
207     Keywords = {Antifreeze proteins; Protein adsorption; Temperature gradient thermometry; Ice},
208     Month = {07},
209     Number = {1},
210     Pages = {241--244},
211     Publisher = {Elsevier Science B.V.},
212     Title = {Kinetics of antifreeze protein-induced ice growth inhibition},
213     Ty = {ABST},
214     Url = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true},
215     Volume = {412},
216     Year = {1997},
217     Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true}}
218    
219     @article{Sakai96,
220     Author = {Hideki Sakai},
221     Date-Added = {2013-09-03 20:01:26 +0000},
222     Date-Modified = {2013-09-03 20:01:36 +0000},
223     Doi = {http://dx.doi.org/10.1016/0039-6028(96)01033-3},
224     Issn = {0039-6028},
225     Journal = {Surface Science},
226     Keywords = {Surface melting},
227     Number = {3},
228     Pages = {387 - 392},
229     Title = {How does a slab-shaped solid melt?},
230     Url = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
231     Volume = {348},
232     Year = {1996},
233     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
234     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(96)01033-3}}
235    
236     @article{Sakai96B,
237     Author = {Hideki Sakai},
238     Date-Added = {2013-09-03 20:00:35 +0000},
239     Date-Modified = {2013-09-03 20:01:43 +0000},
240     Doi = {http://dx.doi.org/10.1016/0039-6028(95)01263-X},
241     Issn = {0039-6028},
242     Journal = {Surface Science},
243     Keywords = {Surface melting},
244     Number = {1--3},
245     Pages = {285 - 291},
246     Title = {Surface-induced melting of small particles},
247     Url = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
248     Volume = {351},
249     Year = {1996},
250     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
251     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)01263-X}}
252    
253     @article{Vanfleet95,
254     Author = {Richard R. Vanfleet and J.M. Mochel},
255     Date-Added = {2013-09-03 19:59:42 +0000},
256     Date-Modified = {2013-09-03 19:59:51 +0000},
257     Doi = {http://dx.doi.org/10.1016/0039-6028(95)00728-8},
258     Issn = {0039-6028},
259     Journal = {Surface Science},
260     Keywords = {Wetting},
261     Number = {1--2},
262     Pages = {40 - 50},
263     Title = {Thermodynamics of melting and freezing in small particles},
264     Url = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
265     Volume = {341},
266     Year = {1995},
267     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
268     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)00728-8}}
269    
270     @article{Granasy95,
271     Author = {Granasy, Laszlo},
272     Date-Added = {2013-09-03 19:58:11 +0000},
273     Date-Modified = {2013-09-03 19:58:23 +0000},
274     Doi = {10.1021/j100038a061},
275     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100038a061},
276     Journal = {The Journal of Physical Chemistry},
277     Number = {38},
278     Pages = {14182-14187},
279     Title = {Diffuse Interface Analysis of Ice Nucleation in Undercooled Water},
280     Url = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
281     Volume = {99},
282     Year = {1995},
283     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
284     Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100038a061}}
285    
286     @article{Han92,
287     Author = {Han, K. and Hale, B. N.},
288     Date-Added = {2013-09-03 19:57:15 +0000},
289     Date-Modified = {2013-09-03 19:57:24 +0000},
290     Doi = {10.1103/PhysRevB.45.29},
291     Issue = {1},
292     Journal = {Phys. Rev. B},
293     Month = {Jan},
294     Pages = {29--35},
295     Publisher = {American Physical Society},
296     Title = {Monte Carlo study of a simple model bulk-ice-Ih system: \textit{P} - \textit{T} melting behavior at constant volume},
297     Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
298     Volume = {45},
299     Year = {1992},
300     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
301     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.29}}
302    
303     @article{Duman:2001qy,
304     Author = {Duman, J. G.},
305     Date-Added = {2013-09-03 19:23:31 +0000},
306     Date-Modified = {2013-09-03 19:23:31 +0000},
307     Isi = {Isi:000168071900015},
308     Issn = {0066-4278},
309     Journal = {Ann. Rev. Physiology},
310     Pages = {327--357},
311     Publication-Type = {J},
312     Title = {Antifreeze and Ice Nucleator Proteins in Terrestrial Arthropods},
313     Volume = {63},
314     Year = {2001}}
315    
316     @article{Meister29012013,
317     Abstract = {Antifreeze proteins (AFPs) are specific proteins that are able to lower the freezing point of aqueous solutions relative to the melting point. Hyperactive AFPs, identified in insects, have an especially high ability to depress the freezing point by far exceeding the abilities of other AFPs. In previous studies, we postulated that the activity of AFPs can be attributed to two distinct molecular mechanisms: (i) short-range direct interaction of the protein surface with the growing ice face and (ii) long-range interaction by protein-induced water dynamics extending up to 20 {\AA} from the protein surface. In the present paper, we combine terahertz spectroscopy and molecular simulations to prove that long-range protein--water interactions make essential contributions to the high antifreeze activity of insect AFPs from the beetle Dendroides canadensis. We also support our hypothesis by studying the effect of the addition of the osmolyte sodium citrate.},
318     Author = {Meister, Konrad and Ebbinghaus, Simon and Xu, Yao and Duman, John G. and DeVries, Arthur and Gruebele, Martin and Leitner, David M. and Havenith, Martina},
319     Date-Added = {2013-09-03 19:22:18 +0000},
320     Date-Modified = {2013-09-03 19:22:18 +0000},
321     Doi = {10.1073/pnas.1214911110},
322     Eprint = {http://www.pnas.org/content/110/5/1617.full.pdf+html},
323     Journal = {Proceedings of the National Academy of Sciences},
324     Number = {5},
325     Pages = {1617-1622},
326     Title = {Long-range protein--water dynamics in hyperactive insect antifreeze proteins},
327     Url = {http://www.pnas.org/content/110/5/1617.abstract},
328     Volume = {110},
329     Year = {2013},
330     Bdsk-Url-1 = {http://www.pnas.org/content/110/5/1617.abstract},
331     Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1214911110}}
332    
333 plouden 3942 @article{Nada05,
334     Author = {H. Nada and Y. Furukawa},
335     Date-Added = {2013-08-30 00:03:37 +0000},
336 gezelter 3945 Date-Modified = {2013-09-03 19:53:16 +0000},
337 plouden 3942 Journal = {Journal of Crystal Growth},
338     Pages = {242-256},
339 gezelter 3945 Title = {Anisotropy in growth kinetics at interfaces between proton-disordered hexagonal ice and water: A molecular dynamics study using the six-site model of \ce{H2O}},
340 plouden 3942 Volume = {283},
341     Year = {2005}}
342    
343 plouden 3941 @article{Laage08,
344     Author = {D. Laage and J. T. Hynes},
345     Date-Added = {2013-08-25 18:29:26 +0000},
346     Date-Modified = {2013-08-25 18:30:32 +0000},
347     Journal = {J. Chem. Phys. B},
348     Pages = {14230-14242},
349     Title = {On the Molecular Mechanism of Water Reorientation},
350     Volume = {112},
351     Year = {2008}}
352    
353     @article{Laage11,
354     Author = {D. Laage and G. Stirnemann and F. Sterpone and R. Rey and J. T. Hynes},
355     Date-Added = {2013-08-25 18:27:56 +0000},
356     Date-Modified = {2013-08-25 18:29:23 +0000},
357     Journal = {Annu. Rev. Phys. Chem.},
358     Pages = {395-416},
359     Title = {Reorientation and Allies Dynamics in Water and Aqueous Solutions},
360     Volume = {62},
361     Year = {2011}}
362    
363     @article{Furse08,
364     Author = {K. E. Furse and S. A. Corcelli},
365     Date-Added = {2013-08-25 18:26:35 +0000},
366     Date-Modified = {2013-08-25 18:27:51 +0000},
367     Journal = {JACS},
368     Pages = {13103-13109},
369     Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA},
370     Volume = {130},
371     Year = {2008}}
372    
373 plouden 3924 @article{Bryk04,
374     Author = {T. Bryk and A. D. J. Haymet},
375     Date-Added = {2013-07-15 18:33:15 +0000},
376     Date-Modified = {2013-07-15 18:34:17 +0000},
377     Journal = {Journal of Molecular Liquids},
378     Pages = {47-50},
379     Title = {Charge separation at the ice/water interface: a molecular dynamics simulation study of solute ions at the ice basal plane},
380     Volume = {112},
381     Year = {2004}}
382 gezelter 3915
383 plouden 3924 @article{Wilson10,
384     Author = {P. W. Wilson and A. D. J. Haymet},
385     Date-Added = {2013-07-15 18:25:02 +0000},
386     Date-Modified = {2013-07-15 18:26:04 +0000},
387     Journal = {J. Phys. Chem.},
388     Pages = {12585},
389     Title = {Effect of Ice Growth on the Measured WOrkman-Reynolds Freezing Potential between Ice and Dilute NaCl Soltutions},
390     Volume = {114},
391     Year = {2010}}
392 gezelter 3918
393 plouden 3924 @article{Rick03,
394     Author = {S. W. Rick and A. D. J. Haymet},
395     Date-Added = {2013-07-15 16:05:32 +0000},
396     Date-Modified = {2013-07-15 16:06:41 +0000},
397     Journal = {J. Chem. Phys.},
398     Number = {20},
399     Pages = {9291-9296},
400     Title = {Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations},
401     Volume = {118},
402     Year = {2003}}
403    
404 gezelter 3918 @article{Davidchack12,
405 plouden 3924 Author = {Davidchack, Ruslan L. and Handel, Richard and Anwar, Jamshed and Brukhno, Andrey V.},
406     Date-Added = {2013-07-11 21:25:47 +0000},
407     Date-Modified = {2013-07-11 21:34:56 +0000},
408     Doi = {10.1021/ct300193e},
409     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
410 gezelter 3918 Journal = {Journal of Chemical Theory and Computation},
411 plouden 3924 Number = {7},
412     Pages = {2383-2390},
413     Title = {Ice Ih--Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions},
414     Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
415 gezelter 3918 Volume = {8},
416     Year = {2012},
417 plouden 3924 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
418     Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
419 gezelter 3918
420 plouden 3924 @article{Armstrong13,
421     Author = {J. A. Armstrong and F. Bresme},
422     Date-Added = {2013-07-11 19:35:13 +0000},
423     Date-Modified = {2013-07-12 19:40:42 +0000},
424     Journal = {J. Chem. Phys.},
425     Pages = {014504},
426     Title = {Water polarization induced by thermal gradients: Te extended simple point charge model (SPC/E)},
427     Volume = {139},
428     Year = {2013}}
429    
430     @article{Smith93,
431     Author = {P. E. Smith and W F. van Gunsteren},
432     Date-Added = {2013-06-19 17:39:04 +0000},
433     Date-Modified = {2013-07-12 19:44:47 +0000},
434     Journal = {Chem. Phys. Letters},
435     Number = {4},
436     Pages = {315-318},
437     Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
438     Volume = {215},
439     Year = {1993}}
440    
441     @article{Gonzalez10,
442     Author = {M. A. Gonzalez and J. L. F. Abascal},
443     Date-Added = {2013-06-19 17:30:15 +0000},
444     Date-Modified = {2013-07-12 19:42:54 +0000},
445     Journal = {J. Chem. Phys.},
446     Pages = {096101-1},
447     Title = {The shear viscosity of rigid water models},
448     Volume = {132},
449     Year = {2010}}
450    
451     @article{Balasubramanian96,
452     Author = {S. Balasubramanian and C. J. Mundy and M. L. Klein},
453     Date-Added = {2013-06-19 17:28:24 +0000},
454     Date-Modified = {2013-07-12 19:41:03 +0000},
455     Journal = {J. Chem. Phys.},
456     Number = {24},
457     Pages = {11190-11195},
458     Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
459     Volume = {105},
460     Year = {1996}}
461    
462     @article{Guo01,
463     Author = {G. Guo and Y. Zhang},
464     Date-Added = {2013-06-19 17:27:08 +0000},
465     Date-Modified = {2013-07-12 19:43:00 +0000},
466 plouden 3898 Journal = {Molecular Physics},
467 plouden 3924 Number = {4},
468     Pages = {283-289},
469     Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
470     Volume = {99},
471     Year = {2001}}
472 plouden 3898
473 plouden 3924 @article{Hess02,
474     Author = {B. Hess},
475     Date-Added = {2013-06-19 17:19:04 +0000},
476     Date-Modified = {2013-06-19 17:20:27 +0000},
477     Journal = {J. Chem. Phys.},
478     Number = {1},
479     Pages = {209-217},
480     Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
481     Volume = {116},
482     Year = {2002}}
483 plouden 3898
484 plouden 3924 @article{Balasubramanian99,
485     Author = {S. Balasubramanian and C. J. Mundy},
486     Date-Added = {2013-06-13 16:47:33 +0000},
487     Date-Modified = {2013-07-12 19:41:12 +0000},
488     Journal = {Bull. Mater. Sci.},
489     Number = {5},
490     Pages = {873-876},
491     Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
492     Volume = {22},
493     Year = {1999}}
494    
495 gezelter 3897 @article{Arbuckle02,
496 plouden 3924 Author = {B. W. Arbuckle and P. Clancy},
497     Date-Added = {2013-04-26 19:34:32 +0000},
498     Date-Modified = {2013-07-12 19:40:33 +0000},
499     Journal = {J. Chem. Phys.},
500     Number = {12},
501     Pages = {5090-5098},
502 gezelter 3897 Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
503     Volume = {116},
504 plouden 3924 Year = {2002}}
505 gezelter 3897
506 plouden 3924 @article{Baez95,
507     Author = {L. A. Baez and P. Clancy},
508     Date-Added = {2013-04-17 20:31:40 +0000},
509     Date-Modified = {2013-07-12 19:40:50 +0000},
510     Journal = {J. Chem. Phys.},
511     Number = {22},
512     Pages = {9744-9755},
513     Title = {Phase equilibria in extended simple point charge ice-water systems},
514     Volume = {103},
515     Year = {1995}}
516 gezelter 3897
517 plouden 3924 @article{Nada95,
518     Author = {H. Nada and Y. Furukawa},
519     Date-Added = {2013-04-17 18:46:57 +0000},
520     Date-Modified = {2013-07-12 19:44:26 +0000},
521     Journal = {Jpn. J. Appl. Phys.},
522     Pages = {583-588},
523     Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
524     Volume = {34},
525     Year = {1995}}
526    
527     @article{Nada00,
528     Author = {H. Nada and Y. Furukawa},
529     Date-Added = {2013-04-17 18:43:16 +0000},
530     Date-Modified = {2013-07-12 19:44:13 +0000},
531     Journal = {Surface Science},
532     Pages = {1-16},
533     Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
534     Volume = {446},
535     Year = {2000}}
536    
537 plouden 3919 @article{Bryk02,
538     Author = {T. Bryk and A. D. J. Haymet},
539     Date-Added = {2013-04-12 18:10:25 +0000},
540     Date-Modified = {2013-07-12 19:41:58 +0000},
541     Journal = {J. Chem. Phys.},
542     Number = {22},
543     Pages = {10258-10268},
544     Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
545     Volume = {117},
546     Year = {2002}}
547    
548 gezelter 3897 @article{Hayward02,
549 plouden 3924 Author = {J. A. Hayward and A. D. J. Haymet},
550     Date-Added = {2013-04-10 20:51:16 +0000},
551     Date-Modified = {2013-07-12 19:43:12 +0000},
552     Journal = {Phys. Chem. Chem. Phys.},
553     Pages = {3712-3719},
554     Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
555 gezelter 3897 Volume = {4},
556 plouden 3924 Year = {2002}}
557 gezelter 3897
558 plouden 3924 @article{Rick01,
559     Author = {S. W. Rick},
560     Date-Added = {2013-04-10 20:46:33 +0000},
561     Date-Modified = {2013-04-10 20:47:32 +0000},
562     Journal = {J. Chem. Phys.},
563     Number = {5},
564     Pages = {2276-2283},
565     Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
566     Volume = {114},
567     Year = {2001}}
568 gezelter 3897
569     @article{Hayward01,
570 plouden 3924 Author = {J. A. Hayward and A. D. J. Haymet},
571     Date-Added = {2013-04-10 19:52:17 +0000},
572     Date-Modified = {2013-07-12 19:43:07 +0000},
573     Journal = {J. Chem. Phys.},
574     Number = {8},
575     Pages = {3713-3726},
576     Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
577 gezelter 3897 Volume = {114},
578 plouden 3924 Year = {2001}}
579 gezelter 3897
580     @article{Beaglehole93,
581 plouden 3924 Author = {D. Beaglehole and P. Wilson},
582     Date-Added = {2013-01-25 22:22:46 +0000},
583     Date-Modified = {2013-07-12 19:41:37 +0000},
584     Journal = {J. Phys. Chem.},
585     Pages = {11053-11055},
586     Title = {Thickness and Anisotropy of the Ice-Water Interface},
587 gezelter 3897 Volume = {97},
588 plouden 3924 Year = {1993}}
589 gezelter 3897
590 plouden 3924 @article{Barnaal67,
591     Author = {D. E. Barnaal and I. J. Lowe},
592     Date-Added = {2013-01-25 22:17:46 +0000},
593     Date-Modified = {2013-07-12 19:41:19 +0000},
594     Journal = {J. Chem. Phys.},
595     Number = {12},
596     Pages = {4800- 4809},
597     Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
598     Volume = {46},
599     Year = {1967}}
600 gezelter 3897
601 plouden 3924 @article{Peterson57,
602     Author = {S. W. Peterson and H. A. Levy},
603     Date-Added = {2013-01-25 22:16:38 +0000},
604     Date-Modified = {2013-07-12 19:44:32 +0000},
605     Journal = {Acta Cryst.},
606     Pages = {70-76},
607     Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
608     Volume = {10},
609     Year = {1957}}
610 gezelter 3897
611 plouden 3924 @article{Huler76,
612     Author = {E. Huler and A. Zunger},
613     Date-Added = {2013-01-25 22:12:37 +0000},
614     Date-Modified = {2013-07-12 19:43:25 +0000},
615     Journal = {J. Chem. Phys.},
616     Pages = {433-440},
617     Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
618     Volume = {13},
619     Year = {1976}}
620 gezelter 3897
621 plouden 3924 @article{Weber83,
622     Author = {T. A. Weber and F. H. Stillinger},
623     Date-Added = {2013-01-25 22:08:55 +0000},
624     Date-Modified = {2013-07-12 19:45:05 +0000},
625     Journal = {J. Phys. Chem.},
626     Pages = {4277-4281},
627     Title = {Molecular Dynamics Study of Ice Crystallite Melting},
628     Volume = {87},
629     Year = {1983}}
630 gezelter 3918
631 plouden 3924 @article{Rahman72,
632     Author = {A. Rahman and F. H. Stillinger},
633     Date-Added = {2013-01-25 22:07:43 +0000},
634     Date-Modified = {2013-07-12 19:44:37 +0000},
635     Journal = {J. Chem. Phys.},
636     Number = {9},
637     Pages = {4009-4017},
638     Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
639     Volume = {57},
640     Year = {1972}}
641 gezelter 3918
642 plouden 3924 @article{Santry72,
643     Author = {D. P. Santry},
644     Date-Added = {2013-01-25 22:05:34 +0000},
645     Date-Modified = {2013-01-25 22:12:17 +0000},
646     Journal = {JACS},
647     Pages = {8311-8316},
648     Title = {Molecular Orbital Studies on Hexagonal Ice},
649     Volume = {94},
650     Year = {1972}}
651    
652     @article{Townsend83,
653     Author = {M. Townsend and S. A. Rice},
654     Date-Added = {2013-01-25 22:04:31 +0000},
655     Date-Modified = {2013-07-12 19:44:52 +0000},
656     Journal = {J. Chem. Phys.},
657     Pages = {2496-2498},
658     Title = {A test of an effective pair potential for liquid water},
659     Volume = {79},
660     Year = {1983}}
661    
662     @article{Deutsch83,
663     Author = {P. W. Deutsch and B. N. Hale and R. C. Ward and D. A. Reago Jr.},
664     Date-Added = {2013-01-25 22:01:53 +0000},
665     Date-Modified = {2013-07-12 19:42:29 +0000},
666     Journal = {J. Phys. Chem.},
667     Pages = {4309-4311},
668     Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
669 gezelter 3897 Volume = {87},
670 plouden 3924 Year = {1983}}
671 gezelter 3897
672 plouden 3924 @article{Davidson84,
673     Author = {E. R. Davidson and K. Morokuma},
674     Date-Added = {2013-01-25 22:00:42 +0000},
675     Date-Modified = {2013-07-12 19:42:16 +0000},
676     Journal = {J. Chem. Phys.},
677     Pages = {3741-3742},
678     Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
679     Volume = {81},
680     Year = {1984}}
681 gezelter 3897
682 plouden 3924 @article{Cota77,
683     Author = {E. Cota and W. G. Hoover},
684     Date-Added = {2013-01-25 21:59:33 +0000},
685     Date-Modified = {2013-07-12 19:40:13 +0000},
686     Journal = {J. Chem. Phys.},
687     Number = {8},
688     Pages = {3839},
689     Title = {Computer simulation of hexagonal ice},
690     Volume = {67},
691     Year = {1977}}
692 gezelter 3897
693 plouden 3924 @article{Gay02,
694     Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
695     Date-Added = {2013-01-25 21:57:19 +0000},
696     Date-Modified = {2013-07-12 19:42:48 +0000},
697     Journal = {J. Chem. Phys.},
698     Number = {20},
699     Pages = {8876-8880},
700     Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
701     Volume = {116},
702     Year = {2002}}
703 gezelter 3897
704 gezelter 3918 @article{Karim90,
705 plouden 3924 Author = {O. A. Karim and A. D. J. Haymet},
706     Date-Added = {2013-01-25 21:55:59 +0000},
707     Date-Modified = {2013-07-12 19:43:44 +0000},
708     Journal = {J. Chem. Phys.},
709     Pages = {4634},
710     Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
711 gezelter 3918 Volume = {92},
712 plouden 3924 Year = {1990}}
713 gezelter 3897
714 plouden 3924 @article{Karim88,
715     Author = {O. A. Karim and A. D. J. Haymet},
716     Date-Added = {2013-01-25 21:53:57 +0000},
717     Date-Modified = {2013-07-12 19:43:37 +0000},
718     Journal = {J. Chem. Phys.},
719     Pages = {6889},
720     Title = {The ice/water interface: A molecular dynamics simulation study},
721     Volume = {11},
722     Year = {1988}}
723 gezelter 3897
724 plouden 3924 @article{Karim87,
725     Author = {O. A. Karim and A. D. J. Haymet},
726     Date-Added = {2013-01-25 21:52:35 +0000},
727     Date-Modified = {2013-07-12 19:43:31 +0000},
728     Journal = {Chem. Phys. Letters},
729     Number = {6},
730     Pages = {531-534},
731     Title = {The Ice/Water Interface},
732     Volume = {138},
733     Year = {1987}}
734 gezelter 3897
735 plouden 3924 @article{Batista01,
736     Author = {E. R. Batista and H. Jonsson},
737     Date-Added = {2013-01-25 21:50:07 +0000},
738     Date-Modified = {2013-07-12 19:41:28 +0000},
739     Journal = {Computational Materials Science},
740     Pages = {325-336},
741     Title = {Diffusion and Island formation of the ice Ih basal plane surface},
742     Volume = {20},
743     Year = {2001}}
744 gezelter 3897
745     @article{Campo10,
746     Author = {M. G. Campo},
747     Date-Added = {2013-01-25 21:48:02 +0000},
748     Date-Modified = {2013-01-25 21:48:44 +0000},
749     Journal = {Papers in Physics},
750     Pages = {020001},
751     Title = {Structural and dynamic properties of SPC/E water},
752     Volume = {2},
753     Year = {2010}}
754 plouden 3924
755     @article{Vega05,
756     Author = {C. Vega and E. Sanz and J. L. F. Abascal},
757     Date-Added = {2013-01-25 21:44:43 +0000},
758     Date-Modified = {2013-07-12 19:44:59 +0000},
759     Journal = {J. Chem. Phys.},
760     Pages = {114507},
761     Title = {The melting temperature of the most common models of water},
762     Volume = {122},
763     Year = {2005}}
764    
765     @article{Kumar09,
766     Author = {P. Kumar and S. V. Buldyrev and H. E. Stanley},
767     Date-Added = {2013-01-25 21:42:09 +0000},
768     Date-Modified = {2013-07-12 19:44:04 +0000},
769     Journal = {PNAS},
770     Number = {52},
771     Pages = {22130-22134},
772     Title = {A tetrahedral entropy for water},
773     Volume = {106},
774     Year = {2009}}
775    
776     @article{Errington01,
777     Author = {J. R. Errington and P. G. Debenedetti},
778     Date-Added = {2013-01-25 21:40:29 +0000},
779     Date-Modified = {2013-07-12 19:42:36 +0000},
780     Journal = {Nature},
781     Pages = {318-321},
782     Title = {Relationship between structural order and the anomalies of liquid water},
783     Volume = {409},
784     Year = {2001}}
785    
786     @article{Chau98,
787     Author = {P. L. Chau and A. J. Hardwick},
788     Date-Added = {2013-01-25 21:39:31 +0000},
789     Date-Modified = {2013-07-12 19:42:07 +0000},
790     Journal = {Molecular Physics},
791     Number = {3},
792     Pages = {511-518},
793     Title = {A new order parameter for tetrahedral configurations},
794     Volume = {93},
795     Year = {1998}}
796    
797     @article{Kuang12,
798     Author = {S. Kuang and J. D. Gezelter},
799     Date-Added = {2013-01-25 21:35:01 +0000},
800     Date-Modified = {2013-07-12 19:43:55 +0000},
801     Journal = {Molecular Physics},
802     Pages = {691-701},
803     Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
804     Volume = {110},
805     Year = {2012}}
806    
807     @article{Kuang10,
808     Author = {S. Kuang and J. D. Gezelter},
809     Date-Added = {2013-01-25 21:27:09 +0000},
810     Date-Modified = {2013-07-12 19:43:49 +0000},
811     Journal = {J. Chem. Phys.},
812     Pages = {164101},
813     Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
814     Volume = {133},
815     Year = {2010}}
816    
817     @article{Hirsch04,
818     Author = {T. K. Hirsch and L. Ojamae},
819     Date-Added = {2013-01-25 21:10:43 +0000},
820     Date-Modified = {2013-07-12 19:43:20 +0000},
821     Journal = {J. Phys. Chem.},
822     Pages = {15856-15864},
823     Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
824     Volume = {108},
825     Year = {2004}}
826    
827     @article{Berendsen87,
828     Author = {H. J. C. Berendsen and J. R. Grigera and T. P. Straatsma},
829     Date-Added = {2013-01-25 21:04:56 +0000},
830     Date-Modified = {2013-07-12 19:41:50 +0000},
831     Journal = {JACS},
832     Number = {24},
833     Pages = {6269-6271},
834     Title = {The Missing Term In Effective Pair Potentials},
835     Volume = {91},
836     Year = {1987}}