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1 plouden 4192 %% This BibTeX bibliography file was created using BibDesk.
2     %% http://bibdesk.sourceforge.net/
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5 gezelter 4254 %% Created for Dan Gezelter at 2014-12-15 10:40:29 -0500
6 plouden 4192
7    
8     %% Saved with string encoding Unicode (UTF-8)
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11    
12 gezelter 4254 @article{Ho:2011zr,
13     Abstract = {Understanding and predicting the behavior of water, especially in contact with various surfaces, is a scientific challenge. Molecular-level understanding of hydrophobic effects and their macroscopic consequences, in particular, is critical to many applications. Macroscopically, a surface is classified as hydrophilic or hydrophobic depending on the contact angle formed by a water droplet. Because hydrophobic surfaces tend to cause water slip whereas hydrophilic ones do not, the former surfaces can yield self-cleaning garments and ice-repellent materials whereas the latter cannot. The results presented herein suggest that this dichotomy might be purely coincidental. Our simulation results demonstrate that hydrophilic surfaces can show features typically associated with hydrophobicity, namely liquid water slip. Further analysis provides details on the molecular mechanism responsible for this surprising result.},
14     Author = {Ho, Tuan Anh and Papavassiliou, Dimitrios V. and Lee, Lloyd L. and Striolo, Alberto},
15     Date-Added = {2014-12-15 15:24:31 +0000},
16     Date-Modified = {2014-12-15 15:24:33 +0000},
17     Doi = {10.1073/pnas.1105189108},
18     Eprint = {http://www.pnas.org/content/108/39/16170.full.pdf+html},
19     Journal = {Proceedings of the National Academy of Sciences},
20     Number = {39},
21     Pages = {16170-16175},
22     Title = {Liquid water can slip on a hydrophilic surface},
23     Url = {http://www.pnas.org/content/108/39/16170.abstract},
24     Volume = {108},
25     Year = {2011},
26     Bdsk-Url-1 = {http://www.pnas.org/content/108/39/16170.abstract},
27     Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1105189108}}
28    
29     @article{Bouzigues:2008ys,
30     Author = {Bouzigues, C. and Tabeling, P. and Bocquet, L.},
31     Date-Added = {2014-12-15 15:17:45 +0000},
32     Date-Modified = {2014-12-15 15:17:47 +0000},
33     Doi = {10.1103/PhysRevLett.101.114503},
34     Issue = {11},
35     Journal = {Phys. Rev. Lett.},
36     Month = {Sep},
37     Numpages = {4},
38     Pages = {114503},
39     Publisher = {American Physical Society},
40     Title = {Nanofluidics in the Debye Layer at Hydrophilic and Hydrophobic Surfaces},
41     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.114503},
42     Volume = {101},
43     Year = {2008},
44     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.114503},
45     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.114503}}
46    
47     @article{Lasne:2008vn,
48     Author = {Lasne, D. and Maali, A. and Amarouchene, Y. and Cognet, L. and Lounis, B. and Kellay, H.},
49     Date-Added = {2014-12-15 15:15:12 +0000},
50     Date-Modified = {2014-12-15 15:15:13 +0000},
51     Doi = {10.1103/PhysRevLett.100.214502},
52     Issue = {21},
53     Journal = {Phys. Rev. Lett.},
54     Month = {May},
55     Numpages = {4},
56     Pages = {214502},
57     Publisher = {American Physical Society},
58     Title = {Velocity Profiles of Water Flowing Past Solid Glass Surfaces Using Fluorescent Nanoparticles and Molecules as Velocity Probes},
59     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.100.214502},
60     Volume = {100},
61     Year = {2008},
62     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.100.214502},
63     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.100.214502}}
64    
65     @article{Schaeffel:2013kx,
66     Author = {Schaeffel, David and Yordanov, Stoyan and Schmelzeisen, Marcus and Yamamoto, Tetsuya and Kappl, Michael and Schmitz, Roman and D\"unweg, Burkhard and Butt, Hans-J\"urgen and Koynov, Kaloian},
67     Date-Added = {2014-12-15 15:13:13 +0000},
68     Date-Modified = {2014-12-15 15:13:15 +0000},
69     Doi = {10.1103/PhysRevE.87.051001},
70     Issue = {5},
71     Journal = {Phys. Rev. E},
72     Month = {May},
73     Numpages = {4},
74     Pages = {051001},
75     Publisher = {American Physical Society},
76     Title = {Hydrodynamic boundary condition of water on hydrophobic surfaces},
77     Url = {http://link.aps.org/doi/10.1103/PhysRevE.87.051001},
78     Volume = {87},
79     Year = {2013},
80     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.87.051001},
81     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.87.051001}}
82    
83     @article{Sendner:2009uq,
84     Author = {Sendner, Christian and Horinek, Dominik and Bocquet, Lyderic and Netz, Roland R.},
85     Date-Added = {2014-12-15 14:58:24 +0000},
86     Date-Modified = {2014-12-15 14:58:24 +0000},
87     Doi = {10.1021/la901314b},
88     Eprint = {http://dx.doi.org/10.1021/la901314b},
89     Journal = {Langmuir},
90     Note = {PMID: 19591481},
91     Number = {18},
92     Pages = {10768-10781},
93     Title = {Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Slip, Viscosity, and Diffusion},
94     Url = {http://dx.doi.org/10.1021/la901314b},
95     Volume = {25},
96     Year = {2009},
97     Bdsk-Url-1 = {http://dx.doi.org/10.1021/la901314b}}
98    
99 gezelter 4247 @article{Fennell:2005fk,
100     Author = {Fennell, Christopher J. and Gezelter, J. Daniel},
101     Date-Added = {2014-12-11 16:43:07 +0000},
102     Date-Modified = {2014-12-11 16:43:07 +0000},
103     Doi = {10.1021/ct050005s},
104     Eprint = {http://dx.doi.org/10.1021/ct050005s},
105     Journal = {Journal of Chemical Theory and Computation},
106     Number = {4},
107     Pages = {662-667},
108     Title = {Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice Ih},
109     Url = {http://dx.doi.org/10.1021/ct050005s},
110     Volume = {1},
111     Year = {2005},
112     Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct050005s}}
113    
114 plouden 4246 @article{Young05,
115     Author = {T. Young},
116     Date-Added = {2014-12-10 22:18:00 +0000},
117     Date-Modified = {2014-12-10 22:18:37 +0000},
118     Journal = {Phil. Trans. R. Soc. Lond.},
119     Pages = {65-87},
120     Title = {An Essay on the Cohesion of Fluids},
121     Volume = {95},
122     Year = {1805}}
123    
124     @article{Koishi09,
125     Author = {Koishi, Takahiro and Yasuoka, Kenji and Fujikawa, Shigenori and Ebisuzaki, Toshikazu and Zeng, Xiao Cheng},
126     Date-Added = {2014-12-10 22:10:55 +0000},
127     Date-Modified = {2014-12-10 22:12:14 +0000},
128     Journal = {PNAS},
129     Keywords = {nano, contact angle, pillars, surface},
130     Pages = {8435-8440},
131     Title = {Coexistence and transition between Cassie and Wenzel state on pillared hydrophobic surface},
132     Volume = {106},
133     Year = {2009}}
134    
135 plouden 4244 @article{Molinero09,
136     Author = {Valeria Molinero and Emily B. Moore},
137     Date-Added = {2014-12-09 20:32:05 +0000},
138     Date-Modified = {2014-12-09 20:32:58 +0000},
139     Journal = {J. Phys. Chem. B.},
140     Keywords = {water model, mW model},
141     Pages = {4008-4016},
142     Title = {Water Modeled As an Intermediate Element between Carbon and Sillicon},
143     Volume = {113},
144     Year = {2009}}
145    
146     @article{Garcia-Fernandez:2006pb,
147     Author = {Garc{\'\i}a Fern{\'a}ndez, Ram{\'o}n and Abascal, Jos{\'e} L. F. and Vega, Carlos},
148     Date-Added = {2014-12-09 19:23:55 +0000},
149     Date-Modified = {2014-12-09 19:23:55 +0000},
150     Doi = {http://dx.doi.org/10.1063/1.2183308},
151     Eid = 144506,
152     Journal = {The Journal of Chemical Physics},
153     Number = {14},
154     Pages = {-},
155     Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
156     Url = {http://scitation.aip.org/content/aip/journal/jcp/124/14/10.1063/1.2183308},
157     Volume = {124},
158     Year = {2006},
159     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/124/14/10.1063/1.2183308},
160     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2183308}}
161    
162 plouden 4242 @article{Hirvi06,
163     Author = {Janne T. Hirvi and Tapani A. Pakkanen},
164     Date-Added = {2014-12-08 21:57:42 +0000},
165     Date-Modified = {2014-12-08 21:59:15 +0000},
166     Journal = {J. Chem. Phys.},
167     Keywords = {contact angle},
168     Pages = {144712},
169     Title = {Molecular dynamics simulations of water droplets on polymer surfaces},
170     Volume = {125},
171     Year = {2006}}
172    
173     @article{Hautman91,
174     Author = {Joseph Hautman and Michael L. Klein},
175     Date-Added = {2014-12-08 21:55:44 +0000},
176     Date-Modified = {2014-12-08 21:57:40 +0000},
177     Journal = {Phys. Rev. Lett.},
178     Keywords = {contact angle},
179     Number = {13},
180     Pages = {1763-1766},
181     Title = {Microscopic Wetting Phenomena},
182     Volume = {67},
183     Year = {1991}}
184    
185     @article{Ruijter99,
186     Author = {M. J. de Ruijter and T. D. Blake and J. De Coninck},
187     Date-Added = {2014-12-08 19:46:25 +0000},
188     Date-Modified = {2014-12-08 19:47:33 +0000},
189     Journal = {Langmuir},
190     Keywords = {contact angle},
191     Pages = {7836-7847},
192     Title = {Dynamic Wetting Studied by Molecular Modeling Simulations of Droplet Spreading},
193     Volume = {15},
194     Year = {1999}}
195    
196 plouden 4231 @article{Ritchie12,
197     Author = {John A. Ritchie and Jamileh Seyed Yazdi and Dusan Bratko and Alenka Luzar},
198     Date-Added = {2014-12-05 19:20:33 +0000},
199     Date-Modified = {2014-12-05 19:21:36 +0000},
200     Journal = {J. Phys. Chem. C},
201     Keywords = {surface, contact angle, electrowetting},
202     Pages = {8634-8641},
203     Title = {Metastable Sessile Nanodroplets on Nanopatterned Surfaces},
204     Volume = {116},
205     Year = {2012}}
206    
207     @article{Daub11,
208     Author = {Christopher D. Daub and Dusan Bratko and Alenka Luzar},
209     Date-Added = {2014-12-05 19:19:04 +0000},
210     Date-Modified = {2014-12-05 19:20:29 +0000},
211     Journal = {J. Phys. Chem. C},
212     Keywords = {surface, contact angle, electrowetting},
213     Pages = {22393-22399},
214     Title = {Electric control of wetting by salty nanodrops: molecular dynamics simulations},
215     Volume = {115},
216     Year = {2011}}
217    
218     @article{Daub10,
219     Author = {Christopher D. Daub and Jihang Wang and Shobhit Kudesia and Dusan Bratko and Alenka Luzar},
220     Date-Added = {2014-12-05 19:17:45 +0000},
221     Date-Modified = {2014-12-05 19:19:00 +0000},
222     Journal = {Faraday Discussions},
223     Keywords = {contact angle, surface, electrowetting},
224     Pages = {67-77},
225     Title = {The influence of molecular-scale roughness on the surface spreading of an aqueous nanodrop},
226     Volume = {146},
227     Year = {2010}}
228    
229     @article{Daub07,
230     Author = {Christopher D. Daub and Dusan Bratko and Kevin Leung and Alenka Luzar},
231     Date-Added = {2014-12-05 19:16:05 +0000},
232     Date-Modified = {2014-12-05 19:17:33 +0000},
233     Journal = {J. Phys. Chem. C. Lett.},
234     Keywords = {contact angle, surface, electrowetting},
235     Pages = {505-509},
236     Title = {Electrowetting at the Nanoscale},
237     Volume = {111},
238     Year = {2007}}
239    
240     @article{Manukyan11,
241     Author = {G. Manukyan and J. M. Oh and D. van den Ende and R. G. H. Lammertink and F. Mugele},
242     Date-Added = {2014-12-05 19:06:11 +0000},
243     Date-Modified = {2014-12-05 19:08:49 +0000},
244     Journal = {Phys. Rev. Lett.},
245     Keywords = {experimental, surface, contact angle, electrowetting},
246     Pages = {014501},
247     Title = {Electric switching of wetting states on superhydrophobic surfaces: a route towards reversible Cassie-to-Wenzel transitions},
248     Volume = {106},
249     Year = {2011}}
250    
251     @article{Dhindsa06,
252     Author = {M. S. Dhindsa and N. R. Smith and J. Heikenfeld},
253     Date-Added = {2014-12-05 18:08:22 +0000},
254     Date-Modified = {2014-12-05 18:09:22 +0000},
255     Journal = {Langmuir},
256     Keywords = {experimental, surface, contact angle, electrowetting},
257     Pages = {9030-9034},
258     Title = {Reversible electrowetting of vertically aligned superhydrophobic carbon nanofibers},
259     Volume = {22},
260     Year = {2006}}
261    
262     @article{Herbertson06,
263     Author = {D. L. Herbertson and C. R. Evans and N. J. Shirtcliffe and G. McHale and M. I. Newton},
264     Date-Added = {2014-12-05 18:06:20 +0000},
265     Date-Modified = {2014-12-05 18:08:17 +0000},
266     Journal = {Sensors and Actuators A},
267     Keywords = {experimental, surface, contact angle, electrowetting},
268     Pages = {189-193},
269     Title = {Electrowetting on superhydrophobic SU-8 patterned surfaces},
270     Volume = {130-131},
271     Year = {2006}}
272    
273     @article{Verplanck07,
274     Author = {N. Verplanck and E. Galopin and J.-C. Camart and V. Thomy},
275     Date-Added = {2014-12-05 18:04:34 +0000},
276     Date-Modified = {2014-12-05 18:06:11 +0000},
277     Journal = {Nano Letters},
278     Keywords = {experimental,surface, contact angle, electrowetting},
279     Number = {3},
280     Pages = {813-817},
281     Title = {Reversible electrowetting on superhydrophobic silicon nanowires},
282     Volume = {7},
283     Year = {2007}}
284    
285     @article{Sun04,
286     Author = {T. Sun and G. Wang and L. Feng and B. Liu and Y. Ma and L. Jiang and D. Zhu},
287     Date-Added = {2014-12-05 18:01:24 +0000},
288     Date-Modified = {2014-12-05 18:03:03 +0000},
289     Journal = {Angew. Chem. Int. Ed.},
290     Keywords = {experimental, contact angle, surface},
291     Pages = {357-360},
292     Title = {Reversible switching between superhydrophilicity and superhydrophobicity},
293     Volume = {43},
294     Year = {2004}}
295    
296     @article{Liu04,
297     Author = {H. Liu and L. Feng and J. Zhai and L. Jiang and D. Zhu},
298     Date-Added = {2014-12-05 17:59:40 +0000},
299     Date-Modified = {2014-12-05 18:01:15 +0000},
300     Journal = {Langmuir},
301     Keywords = {experimental, surface, contact angle},
302     Pages = {5659-5661},
303     Title = {Reversible wettability of a chemical vapor deposition prepared ZnO film between superhydrophobicity and superhydrophilicty},
304     Volume = {20},
305     Year = {2004}}
306    
307     @article{Tadanaga00,
308     Author = {K. Tadanada and J. Morinaga and A. Matsuda and T. Minami},
309     Date-Added = {2014-12-05 17:56:24 +0000},
310     Date-Modified = {2014-12-05 17:58:00 +0000},
311     Journal = {Chem. Matter.},
312     Keywords = {experimental, contact angle, surface},
313     Pages = {590-592},
314     Title = {Superhyrophobic-Superhydrophilic Micropatterning on Flowerlike Alumina Coating Film by the Sol-Gel Method},
315     Volume = {12},
316     Year = {2000}}
317    
318     @article{Ahuja08,
319     Author = {A. Ahuja and J. A. Taylor and V. Lifton and A. A. Sidorenko and T. R. Salamon and E. J. Lobaton and P. Kolodner and T. N. Krupenkin},
320     Date-Added = {2014-12-05 17:48:19 +0000},
321     Date-Modified = {2014-12-05 17:50:42 +0000},
322     Journal = {Langmuir},
323     Keywords = {experimental, contact angle, nano, surface},
324     Pages = {9-14},
325     Title = {Nanonails: A Simple Geometric Approach to Electrically Tunable Superlyophobic Surfaces},
326     Volume = {24},
327     Year = {2008}}
328    
329 plouden 4230 @article{Sazaki12,
330     Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokomine, M. and Furukawa, Y.},
331     Date-Added = {2014-12-04 22:09:50 +0000},
332     Date-Modified = {2014-12-04 22:11:05 +0000},
333     Journal = {PNAS},
334     Keywords = {QLL, crystal surface},
335     Number = {4},
336     Pages = {1052-1055},
337     Title = {Quasi-liquid layers on ice crystal surfaces are made up of two different phases},
338     Volume = {109},
339     Year = {2012}}
340    
341     @article{Sazaki10,
342     Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokoyama, E. and Furukawa, Y.},
343     Date-Added = {2014-12-04 22:07:48 +0000},
344     Date-Modified = {2014-12-04 22:09:47 +0000},
345     Journal = {PNAS},
346     Keywords = {QLL, microscopy, crystal surface},
347     Number = {46},
348     Pages = {19702-19707},
349     Title = {Elementary steps at the surface of ice crystals visualized by advanced optical microscopy},
350     Volume = {107},
351     Year = {2010}}
352    
353     @article{Nada11b,
354     Author = {H. Nada},
355     Date-Added = {2014-12-04 20:55:30 +0000},
356     Date-Modified = {2014-12-04 20:56:52 +0000},
357 gezelter 4243 Journal = {Crystal growth \& design},
358 plouden 4230 Keywords = {Crystal growth},
359     Number = {7},
360     Pages = {3130-3136},
361     Title = {Analysis of ice crystal growth shape under high pressure using molecular dynamics simulation},
362     Volume = {11},
363     Year = {2011}}
364    
365     @article{Nada08,
366     Author = {H. Nada and Y. Furukawa},
367     Date-Added = {2014-12-04 20:24:34 +0000},
368     Date-Modified = {2014-12-04 20:25:49 +0000},
369     Journal = {J. Phys. Chem. B.},
370     Keywords = {Antifreeze proteins},
371     Pages = {7111-7119},
372     Title = {Growth inhibition mechanism of an ice-water interface by a mutant of winter flounder antifreeze protein: A molecular dynamics study},
373     Volume = {112},
374     Year = {2008}}
375    
376     @article{Nada11,
377     Author = {H. Nada and Y. Furukawa},
378     Date-Added = {2014-12-04 20:20:34 +0000},
379     Date-Modified = {2014-12-04 20:21:48 +0000},
380     Journal = {PCCP},
381     Keywords = {Antifreeze proteins},
382     Pages = {19936-19942},
383     Title = {Growth inhibition at the ice prismatic plane induced by a spruce budworm antifreeze protein: a molecular dynamics simulation study},
384     Volume = {13},
385     Year = {2011}}
386    
387     @article{Vrbka07,
388     Author = {Vrbka, L. and Jungwirth, P.},
389     Date-Added = {2014-12-04 19:16:47 +0000},
390     Date-Modified = {2014-12-04 19:18:30 +0000},
391     Journal = {Journal of Molecular Liquids},
392     Keywords = {SPC/E, melting point, salt, NaCl},
393     Pages = {64-70},
394     Title = {Molecular dynamics simulations of freezing of water and salt solutions},
395     Volume = {134},
396     Year = {2007}}
397    
398     @article{Fernandez06,
399     Author = {Garcia Fernandec, R. and Abascal, J. L. F. and Vega, C.},
400     Date-Added = {2014-12-04 19:02:51 +0000},
401     Date-Modified = {2014-12-04 19:04:36 +0000},
402     Journal = {J. Chem. Phys.},
403     Keywords = {melting point, SPC/E, TIP4P, TIP4P-Ew, TIP4P/Ice, TIP4P/2005, TIP5P, TIP5P-Ew},
404     Pages = {144506},
405     Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
406     Volume = {124},
407     Year = {2006}}
408    
409     @article{Sanz04b,
410 plouden 4244 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
411 plouden 4230 Date-Added = {2014-12-04 18:59:12 +0000},
412 plouden 4231 Date-Modified = {2014-12-05 19:30:52 +0000},
413 plouden 4230 Journal = {Phys. Rev. Lett.},
414     Keywords = {SPC/E, TIP4P, phase diagram},
415     Number = {25},
416     Pages = {255701},
417     Title = {Phase Diagram of Water from Computer Simulation},
418     Volume = {92},
419     Year = {2004}}
420    
421     @article{Abascal07,
422 plouden 4244 Author = {Abascal, J. L. F. and Garcia Fernandec, R. and MacDowell, L. G. and Sanz, E. and Vega, C.},
423 plouden 4230 Date-Added = {2014-12-04 18:28:27 +0000},
424     Date-Modified = {2014-12-04 18:31:09 +0000},
425     Journal = {Journal of Molecular Liquids},
426     Keywords = {SPC, SPC/E, TIP4P, TIP4P/Ice, TIP4P/2005, melting point},
427     Pages = {214},
428     Title = {Ice: A fruitful source of information about liquid water},
429     Volume = {136},
430     Year = {2007}}
431    
432     @article{Koyama04,
433 plouden 4244 Author = {Koyama, Yuji and Tanaka, Hideki and Gao, Gunangtu and Zeng, X. C.},
434 plouden 4230 Date-Added = {2014-12-04 18:23:38 +0000},
435     Date-Modified = {2014-12-04 18:25:40 +0000},
436     Journal = {J. Chem. Phys.},
437     Keywords = {TIP4P, TIP5P, melting point},
438     Pages = {7926},
439     Title = {Melting points and thermal expansitivities of proton-disordered hexangonal ice with several model potentials},
440     Volume = {121},
441     Year = {2004}}
442    
443     @article{Wang05,
444     Author = {Wang, J. and Yoo, S. and Bai, J. and Morris, James R. and Zeng, X. C.},
445     Date-Added = {2014-12-04 18:20:24 +0000},
446     Date-Modified = {2014-12-04 18:22:11 +0000},
447     Journal = {J. Chem. Phys.},
448 plouden 4244 Keywords = {TIP4P, TIP5P, TIP4P-Ew, TIP5P-Ew, melting point,},
449 plouden 4230 Pages = {036101},
450     Title = {Melting temperature of ice Ih calculated from coexisting solid-liquid phases},
451     Volume = {123},
452     Year = {2005}}
453    
454     @article{Gao00,
455     Author = {Gao, G. T. and Zeng, X. C.},
456     Date-Added = {2014-12-04 18:17:33 +0000},
457     Date-Modified = {2014-12-04 18:19:06 +0000},
458     Journal = {J. Chem. Phys.},
459     Keywords = {TIP4P, melting point},
460     Pages = {8534},
461     Title = {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water},
462     Volume = {112},
463     Year = {2000}}
464    
465     @article{Abascal05b,
466 plouden 4244 Author = {Abascal, J. L. F. and Sanz, E. and Garcia Fernandec, R. and Vega, C.},
467 plouden 4230 Date-Added = {2014-12-04 17:33:13 +0000},
468     Date-Modified = {2014-12-04 17:34:28 +0000},
469     Journal = {J. Chem. Phys.},
470     Keywords = {TIP4P/Ice, water model, ice model},
471     Pages = {234511},
472     Title = {A potential model for the study of ices and amorphous water: TIP4P/Ice},
473     Volume = {122},
474     Year = {2005}}
475    
476     @article{Abascal05,
477     Author = {Abascal, J. L. F. and Vega, C.},
478     Date-Added = {2014-12-04 17:31:39 +0000},
479     Date-Modified = {2014-12-04 17:32:47 +0000},
480     Journal = {J. Chem. Phys.},
481     Keywords = {TIP4P/2005, water model},
482     Pages = {234505},
483     Title = {A general purpose model for the condensed phases of water: TIP4P/2005},
484     Volume = {123},
485     Year = {2005}}
486    
487     @article{Jorgensen85,
488     Author = {Jorgensen, W. L. and Madura, J. D.},
489     Date-Added = {2014-12-04 17:28:22 +0000},
490     Date-Modified = {2014-12-04 17:30:26 +0000},
491     Journal = {Mol. Phys.},
492     Pages = {1381-1392},
493     Title = {Temperature and size dependence for monte carlo simulations of TIP4P water},
494     Volume = {56},
495     Year = {1985}}
496    
497     @article{Berendsen81,
498     Author = {Berendsen, H. J. C. and Postma, J. P. M and van Gunsteren, W. F. and Hermans, J.},
499     Date-Added = {2014-12-04 17:24:52 +0000},
500 plouden 4246 Date-Modified = {2014-12-10 22:31:51 +0000},
501 plouden 4230 Journal = {Intermolecular Forces},
502     Pages = {331},
503 plouden 4246 Title = {Interaction models for water in relation to protein hydration},
504 plouden 4230 Year = {1981}}
505    
506     @article{Bell08,
507 plouden 4244 Author = {Bell, Robin E.},
508 plouden 4230 Date-Added = {2014-12-04 16:42:53 +0000},
509     Date-Modified = {2014-12-04 16:44:20 +0000},
510     Journal = {Nature Geoscience},
511     Keywords = {ice-water friction},
512     Pages = {297-304},
513     Title = {The role of subglacial water in ice-sheet mass balance},
514     Volume = {1},
515     Year = {2008}}
516    
517     @article{Cuffey99,
518     Author = {Cuffey, K. M. and Conway, H. and Hallet, B. and Gades, A. M. and Raymond, C. F.},
519     Date-Added = {2014-12-04 16:22:37 +0000},
520     Date-Modified = {2014-12-04 16:40:21 +0000},
521     Journal = {Geophysical Research Letters},
522     Keywords = {ice-water friction},
523     Pages = {751-754},
524     Title = {Interfacial water in polar glaciers and glacier sliding at -17 C},
525     Volume = {26},
526     Year = {1999}}
527    
528     @article{Lishman13,
529     Author = {Lishman, B. and Sammonds, P. R. and Feltham, D. L.},
530     Date-Added = {2014-12-04 15:49:46 +0000},
531     Date-Modified = {2014-12-04 22:46:37 +0000},
532     Journal = {Cold Regions Science and Technology},
533     Keywords = {ice-ice friction},
534     Pages = {9-13},
535     Title = {Critical slip and time dependence in sea ice friction},
536     Volume = {90-91},
537     Year = {2013}}
538    
539     @article{Pritchard12,
540     Author = {Pritchard, R. S. and Knoke, G. S. and Echert, D. C. "Skip"},
541     Date-Added = {2014-12-04 15:42:01 +0000},
542     Date-Modified = {2014-12-04 15:44:47 +0000},
543     Journal = {Cold Regions Science and Technology},
544     Keywords = {ice-ice friction},
545     Pages = {8-16},
546     Title = {Sliding friction of sea ice blocks},
547     Volume = {76-77},
548     Year = {2012}}
549    
550     @article{Sukhorukov13,
551     Author = {Sukhorukov, S. and Loset, S.},
552     Date-Added = {2014-12-04 15:39:43 +0000},
553     Date-Modified = {2014-12-04 15:41:18 +0000},
554     Journal = {Cold Regions Science and Technology},
555     Keywords = {ice-ice friction},
556     Pages = {1-12},
557     Title = {Friction of sea ice on sea ice},
558     Volume = {94},
559     Year = {2013}}
560    
561     @article{Casassa91,
562     Author = {Casassa, G. and Narita, H. and Maeno, N.},
563     Date-Added = {2014-12-04 15:36:55 +0000},
564     Date-Modified = {2014-12-04 15:39:02 +0000},
565 plouden 4244 Journal = {J. Appl. Phys.},
566 plouden 4230 Keywords = {ice-ice friction},
567     Number = {6},
568     Pages = {3745},
569     Title = {Shear cell experiments of snow and ice friction},
570     Volume = {69},
571     Year = {1991}}
572    
573     @article{Golding10,
574     Author = {N. Golding, E. M. Schulson, C. E. Renshaw},
575     Date-Added = {2014-12-04 15:28:06 +0000},
576     Date-Modified = {2014-12-04 15:29:04 +0000},
577     Journal = {Acta Materialia},
578     Pages = {5043-5056},
579     Title = {Shear faulting and localized heating in ice: The influence of confinement},
580     Volume = {58},
581     Year = {2010}}
582    
583     @article{Samadashvili13,
584     Annote = {Molecular dynamics simulations of ice Ih where two blocks of ice are compressed against on another with a load at varying temperatures and sheared past one another. This study was conducted at multiple loads and multiple temperatures to determine the behavior of the coefficient of friction, as well as with several water models including the SPC, TIP4P, TIP4P/2005, and TIP4P/Ice.},
585 plouden 4231 Author = {N. Samadashvili and B. Reischl and T. Hynninen and T. Ala-Nissila and A. S. Foster},
586 plouden 4230 Date-Added = {2014-12-04 14:55:07 +0000},
587 plouden 4231 Date-Modified = {2014-12-05 19:29:39 +0000},
588 plouden 4230 Journal = {Friction},
589     Keywords = {ice friction},
590     Pages = {242-251},
591     Title = {Atomistic simulations of friction at an ice-ice interface},
592     Volume = {1},
593     Year = {2013}}
594    
595     @article{Sanz04,
596     Annote = {Using the MC (and Rahman-Parrinello-type MC), and Gibbs-Duhem, the phase diagram for the TIP4P water model is generated. Ices (I, II, III, V, VI, and VII) are found to be stable, while ices (IV, IX) are found to be metastable. Ice I melting point at p=1bar to be Tm = 232(5)K. TIP5P ice I melting point found to be Tm=274(5)K. },
597 plouden 4231 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
598 plouden 4230 Date-Added = {2014-11-25 17:32:43 +0000},
599 plouden 4231 Date-Modified = {2014-12-05 19:30:08 +0000},
600 plouden 4230 Journal = {J. Chem. Phys.},
601     Keywords = {Ice, phase diagram, TIP4P, TIP5P},
602     Number = {2},
603     Pages = {1165},
604     Title = {Tracing the phase diagram of the gour-site water potential (TIP4P)},
605     Volume = {121},
606     Year = {2004}}
607    
608     @article{Zhang14,
609     Annote = {Investigated the effect of surface roughness of a LJ surface on rate of ice nucleation using mW water model. Nucleation found to be promoted if surface roughness if the characteristic length of the surface matches well with ice crystal. Surface "roughness" was a pillared surface, similar to Cassie-Wenzel transition surfaces.},
610     Author = {Xiang-Xiong, Min Chen, Ming Fu},
611     Date-Added = {2014-11-21 19:45:57 +0000},
612     Date-Modified = {2014-11-21 19:49:05 +0000},
613     Journal = {J. Chem. Phys.},
614     Pages = {124709},
615     Title = {Impact of surface nanostructure on ice nucleation},
616     Volume = {141},
617     Year = {2014}}
618    
619     @article{Conde08,
620     Annote = {MD simulations of ice Ih / vaccum interfaces with the SPC/E, TIP4P, TIP4P/Ice, and Tip4P/2005 water models. Used tetrahedrality as measurement of liquid layer thickness. },
621     Author = {M. M. Conde, C. Vega, A. Patrykiejew},
622     Date-Added = {2014-11-21 19:16:18 +0000},
623     Date-Modified = {2014-12-04 22:38:15 +0000},
624     Journal = {J. Chem. Phys.},
625     Keywords = {QLL},
626     Pages = {014702-1},
627     Title = {The thickness of a liquid layer on the free surface of ice as obtained from computer simulation},
628     Volume = {129},
629     Year = {2008}}
630    
631     @article{Limmer14,
632     Author = {David T. Limmer and David Chandler},
633     Date-Added = {2014-11-19 19:31:03 +0000},
634     Date-Modified = {2014-12-04 22:47:00 +0000},
635     Journal = {J. Chem. Phys.},
636     Keywords = {QLL, mW model},
637     Pages = {18C505-1},
638     Title = {Premelting, fluctuations, and coarse-graining of water-ice interface},
639     Volume = {141},
640     Year = {2014}}
641    
642 plouden 4192 @article{Louden13,
643     Author = {Louden, Patrick B. and Gezelter, J. Daniel},
644     Date-Added = {2014-06-24 14:10:37 +0000},
645     Date-Modified = {2014-06-24 14:10:53 +0000},
646     Doi = {http://dx.doi.org/10.1063/1.4832378},
647     Eid = 194710,
648     Journal = {The Journal of Chemical Physics},
649     Number = {19},
650     Pages = {-},
651     Title = {Simulations of solid-liquid friction at ice-Ih/water interfaces},
652     Url = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
653     Volume = {139},
654     Year = {2013},
655     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
656     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4832378}}
657    
658     @article{Beaglehole93,
659     Author = {Beaglehole, D. and Wilson, P.},
660     Date-Added = {2013-09-10 14:24:51 +0000},
661     Date-Modified = {2013-09-10 14:24:58 +0000},
662     Doi = {10.1021/j100144a025},
663     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100144a025},
664     Journal = {The Journal of Physical Chemistry},
665     Number = {42},
666     Pages = {11053-11055},
667     Title = {Thickness and anisotropy of the ice-water interface},
668     Url = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
669     Volume = {97},
670     Year = {1993},
671     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
672     Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100144a025}}
673    
674     @article{Bryk02,
675     Author = {Taras Bryk and A. D. J. Haymet},
676     Date-Added = {2013-09-10 14:23:32 +0000},
677     Date-Modified = {2013-09-10 14:23:42 +0000},
678     Doi = {10.1063/1.1519538},
679     Journal = {The Journal of Chemical Physics},
680     Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
681     Number = {22},
682     Pages = {10258-10268},
683     Publisher = {AIP},
684     Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
685     Url = {http://link.aip.org/link/?JCP/117/10258/1},
686     Volume = {117},
687     Year = {2002},
688     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
689     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}
690    
691     @article{Gay02,
692     Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
693     Date-Added = {2013-09-10 14:22:50 +0000},
694     Date-Modified = {2013-09-10 14:22:54 +0000},
695     Doi = {10.1063/1.1471556},
696     Journal = {The Journal of Chemical Physics},
697     Keywords = {ice; melting; molecular dynamics method; crystal structure; digital simulation},
698     Number = {20},
699     Pages = {8876-8880},
700     Publisher = {AIP},
701     Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
702     Url = {http://link.aip.org/link/?JCP/116/8876/1},
703     Volume = {116},
704     Year = {2002},
705     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/116/8876/1},
706     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1471556}}
707    
708     @article{Duman:2001qy,
709     Author = {Duman, John G},
710     Date-Added = {2013-09-10 14:21:59 +0000},
711     Date-Modified = {2013-09-10 14:22:07 +0000},
712     Doi = {10.1146/annurev.physiol.63.1.327},
713     Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physiol.63.1.327},
714     Journal = {Annual Review of Physiology},
715     Note = {PMID: 11181959},
716     Number = {1},
717     Pages = {327-357},
718     Title = {ANTIFREEZE AND ICE NUCLEATOR PROTEINS IN TERRESTRIAL ARTHROPODS},
719     Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
720     Volume = {63},
721     Year = {2001},
722     Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
723     Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physiol.63.1.327}}
724    
725     @article{Chapsky97,
726     Author = {Chapsky, Lars and Rubinsky, Boris},
727     Date = {1997/07/21},
728     Date-Added = {2013-09-10 14:21:02 +0000},
729     Date-Modified = {2013-09-10 14:21:09 +0000},
730     Id = {S0014-5793(97)00787-4},
731     Isbn = {0014-5793},
732     Journal = {FEBS letters},
733     Journal1 = {FEBS letters},
734     Journal2 = {FEBS Lett},
735     Keywords = {Antifreeze proteins; Protein adsorption; Temperature gradient thermometry; Ice},
736     Month = {07},
737     Number = {1},
738     Pages = {241--244},
739     Publisher = {Elsevier Science B.V.},
740     Title = {Kinetics of antifreeze protein-induced ice growth inhibition},
741     Ty = {ABST},
742     Url = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true},
743     Volume = {412},
744     Year = {1997},
745     Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true}}
746    
747     @article{Weber83,
748     Annote = {doi: 10.1021/j100244a057},
749     Author = {Weber, Thomas A. and Stillinger, Frank H.},
750     Booktitle = {The Journal of Physical Chemistry},
751     Da = {1983/10/01},
752     Date = {1983/10/01},
753     Date-Added = {2013-09-10 14:20:08 +0000},
754     Date-Modified = {2013-09-10 14:20:17 +0000},
755     Doi = {10.1021/j100244a057},
756     Isbn = {0022-3654},
757     Journal = {The Journal of Physical Chemistry},
758     Journal1 = {J. Phys. Chem.},
759     M3 = {doi: 10.1021/j100244a057},
760     Month = {2013/09/10},
761     Number = {21},
762     Pages = {4277--4281},
763     Publisher = {American Chemical Society},
764     Title = {Molecular dynamics study of ice crystallite melting},
765     Ty = {JOUR},
766     Url = {http://dx.doi.org/10.1021/j100244a057},
767     Volume = {87},
768     Year = {1983},
769     Year1 = {1983},
770     Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100244a057}}
771    
772     @article{Han92,
773     Author = {Han, K. and Hale, B. N.},
774     Date-Added = {2013-09-10 14:19:03 +0000},
775     Date-Modified = {2013-09-10 14:19:07 +0000},
776     Doi = {10.1103/PhysRevB.45.29},
777     Issue = {1},
778     Journal = {Phys. Rev. B},
779     Month = {Jan},
780     Pages = {29--35},
781     Publisher = {American Physical Society},
782     Title = {Monte Carlo study of a simple model bulk-ice-Ih system: \textit{P} - \textit{T} melting behavior at constant volume},
783     Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
784     Volume = {45},
785     Year = {1992},
786     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
787     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.29}}
788    
789     @article{Hayward02,
790     Abstract = {Orientational order parameters for four crystallographically distinct ice/water interfaces are defined and measured in molecular dynamics computer simulations of the CF1 central force model of water. We find that all interfaces are broad{,} with consistently different orientational structures found among the four interfaces. We also define and measure a local order parameter in the interfaces related to oxygen-oxygen coordination number{,} and show that this measure of the interfacial width is extremely broad. Combining recent results for the translational order parameters{,} average density order parameters and diffusion coefficient order parameters{,} for this model of water{,} coupled with other simulations of rigid models of water{,} a clear picture of the structure of the ice/water interface emerges. This also reveals a possible explanation for the differential accumulation of certain solutes at the ice/water interface.},
791     Author = {Hayward, Jennifer A. and Haymet, A. D. J.},
792     Date-Added = {2013-09-10 14:18:04 +0000},
793     Date-Modified = {2013-09-10 14:18:11 +0000},
794     Doi = {10.1039/B202039D},
795     Issue = {15},
796     Journal = {Phys. Chem. Chem. Phys.},
797     Pages = {3712-3719},
798     Publisher = {The Royal Society of Chemistry},
799     Title = {The ice/water interface: orientational order parameters for the basal{,} prism{,} {20[2 with combining macron]1}{,} and {2[1 with combining macron][1 with combining macron]0} interfaces of ice Ih},
800     Url = {http://dx.doi.org/10.1039/B202039D},
801     Volume = {4},
802     Year = {2002},
803     Bdsk-Url-1 = {http://dx.doi.org/10.1039/B202039D}}
804    
805     @article{Nada95,
806     Author = {Hiroki Nada and Yoshinori Furukawa},
807     Date-Added = {2013-09-10 14:16:57 +0000},
808     Date-Modified = {2013-09-10 14:17:03 +0000},
809     Doi = {10.1143/JJAP.34.583},
810     Journal = {Japanese Journal of Applied Physics},
811     Number = {Part 1, No. 2A},
812     Numpages = {5},
813     Pages = {583-588},
814     Publisher = {The Japan Society of Applied Physics},
815     Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
816     Url = {http://jjap.jsap.jp/link?JJAP/34/583/},
817     Volume = {34},
818     Year = {1995},
819     Bdsk-Url-1 = {http://jjap.jsap.jp/link?JJAP/34/583/},
820     Bdsk-Url-2 = {http://dx.doi.org/10.1143/JJAP.34.583}}
821    
822     @article{Nada12,
823     Author = {Nada, Hiroki and Furukawa, Yoshinori},
824     Date = {2012/07//print},
825     Date-Added = {2013-09-10 14:15:54 +0000},
826     Date-Modified = {2013-09-10 14:16:01 +0000},
827     Isbn = {0032-3896},
828     Journal = {Polym J},
829     Month = {07},
830     Number = {7},
831     Pages = {690--698},
832     Publisher = {The Society of Polymer Science, Japan},
833     Title = {Antifreeze proteins: computer simulation studies on the mechanism of ice growth inhibition},
834     Ty = {JOUR},
835     Url = {http://dx.doi.org/10.1038/pj.2012.13},
836     Volume = {44},
837     Year = {2012},
838     Bdsk-Url-1 = {http://dx.doi.org/10.1038/pj.2012.13}}
839    
840     @article{Ewald,
841     Author = {Christopher J. Fennell and J. Daniel Gezelter},
842     Date-Added = {2013-09-10 14:14:59 +0000},
843     Date-Modified = {2013-09-10 14:15:03 +0000},
844     Doi = {10.1063/1.2206581},
845     Eid = {234104},
846     Journal = {The Journal of Chemical Physics},
847     Keywords = {Lennard-Jones potential; liquid theory; molecular dynamics method},
848     Number = {23},
849     Numpages = {12},
850     Pages = {234104},
851     Publisher = {AIP},
852     Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
853     Url = {http://link.aip.org/link/?JCP/124/234104/1},
854     Volume = {124},
855     Year = {2006},
856     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/124/234104/1},
857     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2206581}}
858    
859     @article{Laage08,
860     Author = {Laage, Damien and Hynes, James T.},
861     Date-Added = {2013-09-10 13:29:18 +0000},
862     Date-Modified = {2013-09-10 13:29:25 +0000},
863     Doi = {10.1021/jp805217u},
864     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp805217u},
865     Journal = {The Journal of Physical Chemistry B},
866     Note = {PMID: 18942871},
867     Number = {45},
868     Pages = {14230-14242},
869     Title = {On the Molecular Mechanism of Water Reorientation},
870     Url = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
871     Volume = {112},
872     Year = {2008},
873     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
874     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp805217u}}
875    
876     @article{Kumar09,
877     Abstract = {We introduce the space-dependent correlation function C Q(r) and time-dependent autocorrelation function C Q(t) of the local tetrahedral order parameter Q ≡ Q(r,t). By using computer simulations of 512 waterlike particles interacting through the transferable interaction potential with five points (TIP5 potential), we investigate C Q(r) in a broad region of the phase diagram. We find that at low temperatures C Q(t) exhibits a two-step time-dependent decay similar to the self-intermediate scattering function and that the corresponding correlation time Ï„Q displays a dynamic cross-over from non-Arrhenius behavior for T > T W to Arrhenius behavior for T < T W, where T W denotes the Widom temperature where the correlation length has a maximum as T is decreased along a constant-pressure path. We define a tetrahedral entropy S Q associated with the local tetrahedral order of water molecules and find that it produces a major contribution to the specific heat maximum at the Widom line. Finally, we show that Ï„Q can be extracted from S Q by using an analog of the Adam--Gibbs relation.},
878     Author = {Kumar, Pradeep and Buldyrev, Sergey V. and Stanley, H. Eugene},
879     Date-Added = {2013-09-10 13:27:51 +0000},
880     Date-Modified = {2013-09-10 13:27:58 +0000},
881     Doi = {10.1073/pnas.0911094106},
882     Eprint = {http://www.pnas.org/content/106/52/22130.full.pdf+html},
883     Journal = {Proceedings of the National Academy of Sciences},
884     Number = {52},
885     Pages = {22130-22134},
886     Title = {A tetrahedral entropy for water},
887     Url = {http://www.pnas.org/content/106/52/22130.abstract},
888     Volume = {106},
889     Year = {2009},
890     Bdsk-Url-1 = {http://www.pnas.org/content/106/52/22130.abstract},
891     Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0911094106}}
892    
893     @article{Furse08,
894     Author = {Furse, Kristina E. and Corcelli, Steven A.},
895     Date-Added = {2013-09-10 13:25:57 +0000},
896     Date-Modified = {2013-09-10 13:26:03 +0000},
897     Doi = {10.1021/ja803728g},
898     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja803728g},
899     Journal = {Journal of the American Chemical Society},
900     Note = {PMID: 18767841},
901     Number = {39},
902     Pages = {13103-13109},
903     Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA},
904     Url = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
905     Volume = {130},
906     Year = {2008},
907     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
908     Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja803728g}}
909    
910     @article{Pit99,
911     Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane},
912     Date-Added = {2013-09-09 22:18:25 +0000},
913     Date-Modified = {2013-09-09 22:18:35 +0000},
914     Doi = {10.1023/A:1019161101812},
915     Issn = {1023-8883},
916     Journal = {Tribology Letters},
917     Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface},
918     Language = {English},
919     Number = {2-3},
920     Pages = {147-152},
921     Publisher = {Kluwer Academic Publishers-Plenum Publishers},
922     Title = {Friction and slip of a simple liquid at a solid surface},
923     Url = {http://dx.doi.org/10.1023/A%3A1019161101812},
924     Volume = {7},
925     Year = {1999},
926     Bdsk-Url-1 = {http://dx.doi.org/10.1023/A%3A1019161101812},
927     Bdsk-Url-2 = {http://dx.doi.org/10.1023/A:1019161101812}}
928    
929     @article{Berendsen87,
930     Author = {Berendsen, H. J. C. and Grigera, J. R. and Straatsma, T. P.},
931     Date-Added = {2013-09-09 22:17:15 +0000},
932     Date-Modified = {2013-09-09 22:17:24 +0000},
933     Doi = {10.1021/j100308a038},
934     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100308a038},
935     Journal = {The Journal of Physical Chemistry},
936     Number = {24},
937     Pages = {6269-6271},
938     Title = {The missing term in effective pair potentials},
939     Url = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
940     Volume = {91},
941     Year = {1987},
942     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
943     Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100308a038}}
944    
945     @article{Wilson10,
946     Author = {Wilson, P. W. and Haymet, A. D. J.},
947     Date-Added = {2013-09-09 22:15:46 +0000},
948     Date-Modified = {2013-09-09 22:16:06 +0000},
949     Doi = {10.1021/jp105001c},
950     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp105001c},
951     Journal = {The Journal of Physical Chemistry B},
952     Number = {39},
953     Pages = {12585-12588},
954     Title = {Effect of Ice Growth Rate on the Measured Workman - Reynolds Freezing Potential between Ice and Dilute NaCl Solutions},
955     Url = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
956     Volume = {114},
957     Year = {2010},
958     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
959     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp105001c}}
960    
961     @article{Karim88,
962     Author = {Omar A. Karim and A. D. J. Haymet},
963     Date-Added = {2013-09-09 22:12:57 +0000},
964     Date-Modified = {2013-09-09 22:13:11 +0000},
965     Doi = {10.1063/1.455363},
966     Journal = {The Journal of Chemical Physics},
967     Keywords = {ICE; WATER; INTERFACE STRUCTURE; MOLECULAR DYNAMICS CALCULATIONS; CORRELATION FUNCTIONS},
968     Number = {11},
969     Pages = {6889-6896},
970     Publisher = {AIP},
971     Title = {The ice/water interface: A molecular dynamics simulation study},
972     Url = {http://link.aip.org/link/?JCP/89/6889/1},
973     Volume = {89},
974     Year = {1988},
975     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/89/6889/1},
976     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.455363}}
977    
978     @article{Hayward01,
979     Author = {Jennifer A. Hayward and A. D. J. Haymet},
980     Date-Added = {2013-09-09 22:11:25 +0000},
981     Date-Modified = {2013-09-09 22:11:33 +0000},
982     Doi = {10.1063/1.1333680},
983     Journal = {The Journal of Chemical Physics},
984     Keywords = {ice; water; molecular dynamics method; interface phenomena; density; diffusion},
985     Number = {8},
986     Pages = {3713-3726},
987     Publisher = {AIP},
988     Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {202-bar 1}, and {21-bar 1-bar 0} interfaces of ice Ih},
989     Url = {http://link.aip.org/link/?JCP/114/3713/1},
990     Volume = {114},
991     Year = {2001},
992     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/114/3713/1},
993     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1333680}}
994    
995     @article{Karim90,
996     Author = {Omar A. Karim and Paul A. Kay and A. D. J. Haymet},
997     Date-Added = {2013-09-09 22:10:33 +0000},
998     Date-Modified = {2013-09-09 22:10:40 +0000},
999     Doi = {10.1063/1.457730},
1000     Journal = {The Journal of Chemical Physics},
1001     Keywords = {ICE; WATER; INTERFACES; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS CALCULATIONS; INTERFACE STRUCTURE; SURFACE PROPERTIES; MOLECULAR ORIENTATION; DIFFUSION; DENSITY},
1002     Number = {7},
1003     Pages = {4634-4635},
1004     Publisher = {AIP},
1005     Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
1006     Url = {http://link.aip.org/link/?JCP/92/4634/1},
1007     Volume = {92},
1008     Year = {1990},
1009     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/92/4634/1},
1010     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.457730}}
1011    
1012     @article{Hirsch04,
1013     Author = {Hirsch, Tomas K. and Ojam{\"a}e, Lars},
1014     Date-Added = {2013-09-09 18:46:26 +0000},
1015     Date-Modified = {2013-09-09 18:47:19 +0000},
1016     Doi = {10.1021/jp048434u},
1017     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp048434u},
1018     Journal = {The Journal of Physical Chemistry B},
1019     Number = {40},
1020     Pages = {15856-15864},
1021     Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
1022     Url = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
1023     Volume = {108},
1024     Year = {2004},
1025     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
1026     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp048434u}}
1027    
1028     @article{Laage11,
1029     Author = {Laage, Damien and Stirnemann, Guillaume and Sterpone, Fabio and Rey, Rossend and Hynes, James T.},
1030     Date-Added = {2013-09-09 18:43:55 +0000},
1031     Date-Modified = {2013-09-09 18:44:03 +0000},
1032     Doi = {10.1146/annurev.physchem.012809.103503},
1033     Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physchem.012809.103503},
1034     Journal = {Annual Review of Physical Chemistry},
1035     Note = {PMID: 21219140},
1036     Number = {1},
1037     Pages = {395-416},
1038     Title = {Reorientation and Allied Dynamics in Water and Aqueous Solutions},
1039     Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
1040     Volume = {62},
1041     Year = {2011},
1042     Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
1043     Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physchem.012809.103503}}
1044    
1045     @article{PhysRevLett.70.2726,
1046     Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
1047     Date-Added = {2013-09-09 17:57:57 +0000},
1048     Date-Modified = {2013-09-09 17:57:57 +0000},
1049     Doi = {10.1103/PhysRevLett.70.2726},
1050     Issue = {18},
1051     Journal = {Phys. Rev. Lett.},
1052     Month = {May},
1053     Pages = {2726--2729},
1054     Publisher = {American Physical Society},
1055     Title = {Hydrodynamic boundary conditions and correlation functions of confined fluids},
1056     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
1057     Volume = {70},
1058     Year = {1993},
1059     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
1060     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.70.2726}}
1061    
1062     @article{PhysRevE.49.3079,
1063     Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
1064     Date-Added = {2013-09-09 17:57:29 +0000},
1065     Date-Modified = {2013-09-09 17:57:29 +0000},
1066     Doi = {10.1103/PhysRevE.49.3079},
1067     Issue = {4},
1068     Journal = {Phys. Rev. E},
1069     Month = {Apr},
1070     Pages = {3079--3092},
1071     Publisher = {American Physical Society},
1072     Title = {Hydrodynamic boundary conditions, correlation functions, and Kubo relations for confined fluids},
1073     Url = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
1074     Volume = {49},
1075     Year = {1994},
1076     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
1077     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.49.3079}}
1078    
1079     @article{Mundy1997305,
1080     Author = {Christopher J. Mundy and Sundaram Balasubramanian and Michael L. Klein},
1081     Date-Added = {2013-09-09 17:02:36 +0000},
1082     Date-Modified = {2013-09-09 18:38:42 +0000},
1083     Doi = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4},
1084     Issn = {0378-4371},
1085     Journal = {Physica A: Statistical Mechanics and its Applications},
1086     Number = {1--2},
1087     Pages = {305 - 314},
1088     Title = {Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics},
1089     Url = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
1090     Volume = {240},
1091     Year = {1997},
1092     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
1093     Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4}}
1094    
1095     @article{Bresme08,
1096     Author = {Bresme, Fernando and Lervik, Anders and Bedeaux, Dick and Kjelstrup, Signe},
1097     Date-Added = {2013-09-09 13:16:41 +0000},
1098     Date-Modified = {2013-09-09 13:16:47 +0000},
1099     Doi = {10.1103/PhysRevLett.101.020602},
1100     Issue = {2},
1101     Journal = {Phys. Rev. Lett.},
1102     Month = {Jul},
1103     Numpages = {4},
1104     Pages = {020602},
1105     Publisher = {American Physical Society},
1106     Title = {Water Polarization under Thermal Gradients},
1107     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
1108     Volume = {101},
1109     Year = {2008},
1110     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
1111     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.020602}}
1112    
1113     @article{Nada03,
1114     Author = {Hiroki Nada and Jan P. J. M. van der Eerden},
1115     Date-Added = {2013-09-09 13:15:08 +0000},
1116     Date-Modified = {2013-09-09 13:15:17 +0000},
1117     Doi = {10.1063/1.1562610},
1118     Journal = {The Journal of Chemical Physics},
1119     Keywords = {potential energy functions; ice; water; melting point; Monte Carlo methods; thermodynamic properties; liquid structure},
1120     Number = {16},
1121     Pages = {7401-7413},
1122     Publisher = {AIP},
1123     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},
1124     Url = {http://link.aip.org/link/?JCP/118/7401/1},
1125     Volume = {118},
1126     Year = {2003},
1127     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/7401/1},
1128     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1562610}}
1129    
1130     @article{Wierzbicki07,
1131     Author = {Wierzbicki, Andrzej and Dalal, Pranav and Cheatham, Thomas E. and Knickelbein, Jared E. and Haymet, A. D. J. and Madura, Jeffry D.},
1132     Date = {2007/09/01},
1133     Date-Added = {2013-09-09 13:13:07 +0000},
1134     Date-Modified = {2013-09-09 13:13:15 +0000},
1135     Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
1136     Isbn = {0006-3495},
1137     Journal = {Biophysical journal},
1138     Journal1 = {Biophysical journal},
1139     Journal2 = {Biophys J},
1140     Month = {09},
1141     Number = {5},
1142     Pages = {1442--1451},
1143     Publisher = {Cell Press},
1144     Title = {Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins},
1145     Ty = {ABST},
1146     Url = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054},
1147     Volume = {93},
1148     Year = {2007},
1149     Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054}}
1150    
1151     @article{OOPSE,
1152     Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
1153     Date-Added = {2013-09-03 20:42:45 +0000},
1154     Date-Modified = {2013-09-03 20:42:45 +0000},
1155     Doi = {10.1002/jcc.20161},
1156     Issn = {1096-987X},
1157     Journal = {Journal of Computational Chemistry},
1158     Keywords = {OOPSE, molecular dynamics},
1159     Number = {3},
1160     Pages = {252--271},
1161     Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
1162     Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
1163     Url = {http://dx.doi.org/10.1002/jcc.20161},
1164     Volume = {26},
1165     Year = {2005},
1166     Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
1167    
1168     @misc{openmd,
1169     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},
1170     Date-Added = {2013-09-03 20:42:37 +0000},
1171     Date-Modified = {2013-09-03 20:42:37 +0000},
1172     Howpublished = {Available at {\tt http://openmd.org}},
1173     Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}}
1174    
1175     @article{Buch:2008fk,
1176     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.},
1177     Author = {Buch, V. and Groenzin, H. and Li, I. and Shultz, M. J. and Tosatti, E.},
1178     Date-Added = {2013-09-03 20:15:03 +0000},
1179     Date-Modified = {2013-09-03 20:15:11 +0000},
1180     Doi = {10.1073/pnas.0710129105},
1181     Eprint = {http://www.pnas.org/content/105/16/5969.full.pdf+html},
1182     Journal = {Proceedings of the National Academy of Sciences},
1183     Number = {16},
1184     Pages = {5969-5974},
1185     Title = {Proton order in the ice crystal surface},
1186     Url = {http://www.pnas.org/content/105/16/5969.abstract},
1187     Volume = {105},
1188     Year = {2008},
1189     Bdsk-Url-1 = {http://www.pnas.org/content/105/16/5969.abstract},
1190     Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0710129105}}
1191    
1192     @article{Wilson08,
1193     Author = {Wilson, P. W. and Haymet, A. D. J.},
1194     Date-Added = {2013-09-03 20:09:39 +0000},
1195     Date-Modified = {2013-09-09 22:14:12 +0000},
1196     Doi = {10.1021/jp804047x},
1197     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804047x},
1198     Journal = {The Journal of Physical Chemistry B},
1199     Note = {PMID: 18720967},
1200     Number = {37},
1201     Pages = {11750-11755},
1202     Title = {Workman - Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces},
1203     Url = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
1204     Volume = {112},
1205     Year = {2008},
1206     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
1207     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804047x}}
1208    
1209     @article{Smith05,
1210     Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
1211     Date-Added = {2013-09-03 20:03:24 +0000},
1212     Date-Modified = {2013-09-03 20:03:30 +0000},
1213     Doi = {10.1063/1.1953578},
1214     Eid = {034706},
1215     Journal = {The Journal of Chemical Physics},
1216     Keywords = {chlorine; sodium; ice; water; positive ions; negative ions; free energy; solvation; molecular dynamics method; interface phenomena; melting point},
1217     Number = {3},
1218     Numpages = {16},
1219     Pages = {034706},
1220     Publisher = {AIP},
1221     Title = {Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl[sup -] and Na[sup +] in the ice/water interface},
1222     Url = {http://link.aip.org/link/?JCP/123/034706/1},
1223     Volume = {123},
1224     Year = {2005},
1225     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/034706/1},
1226     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1953578}}
1227    
1228     @article{Sakai96,
1229     Author = {Hideki Sakai},
1230     Date-Added = {2013-09-03 20:01:26 +0000},
1231     Date-Modified = {2013-09-03 20:01:36 +0000},
1232     Doi = {http://dx.doi.org/10.1016/0039-6028(96)01033-3},
1233     Issn = {0039-6028},
1234     Journal = {Surface Science},
1235     Keywords = {Surface melting},
1236     Number = {3},
1237     Pages = {387 - 392},
1238     Title = {How does a slab-shaped solid melt?},
1239     Url = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
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1247     Date-Added = {2013-09-03 20:00:35 +0000},
1248     Date-Modified = {2013-09-03 20:01:43 +0000},
1249     Doi = {http://dx.doi.org/10.1016/0039-6028(95)01263-X},
1250     Issn = {0039-6028},
1251     Journal = {Surface Science},
1252     Keywords = {Surface melting},
1253     Number = {1--3},
1254     Pages = {285 - 291},
1255     Title = {Surface-induced melting of small particles},
1256     Url = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
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1267     Issn = {0039-6028},
1268     Journal = {Surface Science},
1269     Keywords = {Wetting},
1270     Number = {1--2},
1271     Pages = {40 - 50},
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1284     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100038a061},
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1286     Number = {38},
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1297     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},
1298     Date-Added = {2013-09-03 19:22:18 +0000},
1299     Date-Modified = {2013-09-03 19:22:18 +0000},
1300     Doi = {10.1073/pnas.1214911110},
1301     Eprint = {http://www.pnas.org/content/110/5/1617.full.pdf+html},
1302     Journal = {Proceedings of the National Academy of Sciences},
1303     Number = {5},
1304     Pages = {1617-1622},
1305     Title = {Long-range protein--water dynamics in hyperactive insect antifreeze proteins},
1306     Url = {http://www.pnas.org/content/110/5/1617.abstract},
1307     Volume = {110},
1308     Year = {2013},
1309     Bdsk-Url-1 = {http://www.pnas.org/content/110/5/1617.abstract},
1310     Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1214911110}}
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1314     Date-Added = {2013-08-30 00:03:37 +0000},
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1356     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
1357     Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
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1652 plouden 4230 @article{Bryk04b,
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1654     Author = {Bryk, Taras and Haymet, A.D.J.},
1655 plouden 4230 Date-Modified = {2014-12-04 18:01:49 +0000},
1656 plouden 4192 Doi = {doi:10.1080/0892702031000152172},
1657     Journal = {Molecular Simulation},
1658     Keyword = {Ice, Melting temperature, Phase diagram, Water},
1659     Number = {2-1},
1660     Pages = {131-135},
1661     Title = {The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water},
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1664     Year = {2004},
1665     Bdsk-Url-1 = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1666     Bdsk-Url-2 = {http://dx.doi.org/10.1080/0892702031000152172}}