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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 3954 %% Created for Dan Gezelter at 2013-09-09 14:47:22 -0400
6 gezelter 3897
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10    
11    
12 gezelter 3954 @article{Hirsch04,
13     Author = {Hirsch, Tomas K. and Ojam{\"a}e, Lars},
14     Date-Added = {2013-09-09 18:46:26 +0000},
15     Date-Modified = {2013-09-09 18:47:19 +0000},
16     Doi = {10.1021/jp048434u},
17     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp048434u},
18     Journal = {The Journal of Physical Chemistry B},
19     Number = {40},
20     Pages = {15856-15864},
21     Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
22     Url = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
23     Volume = {108},
24     Year = {2004},
25     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
26     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp048434u}}
27    
28     @article{Laage11,
29     Author = {Laage, Damien and Stirnemann, Guillaume and Sterpone, Fabio and Rey, Rossend and Hynes, James T.},
30     Date-Added = {2013-09-09 18:43:55 +0000},
31     Date-Modified = {2013-09-09 18:44:03 +0000},
32     Doi = {10.1146/annurev.physchem.012809.103503},
33     Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physchem.012809.103503},
34     Journal = {Annual Review of Physical Chemistry},
35     Note = {PMID: 21219140},
36     Number = {1},
37     Pages = {395-416},
38     Title = {Reorientation and Allied Dynamics in Water and Aqueous Solutions},
39     Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
40     Volume = {62},
41     Year = {2011},
42     Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
43     Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physchem.012809.103503}}
44    
45     @article{PhysRevLett.70.2726,
46     Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
47     Date-Added = {2013-09-09 17:57:57 +0000},
48     Date-Modified = {2013-09-09 17:57:57 +0000},
49     Doi = {10.1103/PhysRevLett.70.2726},
50     Issue = {18},
51     Journal = {Phys. Rev. Lett.},
52     Month = {May},
53     Pages = {2726--2729},
54     Publisher = {American Physical Society},
55     Title = {Hydrodynamic boundary conditions and correlation functions of confined fluids},
56     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
57     Volume = {70},
58     Year = {1993},
59     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
60     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.70.2726}}
61    
62     @article{PhysRevE.49.3079,
63     Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
64     Date-Added = {2013-09-09 17:57:29 +0000},
65     Date-Modified = {2013-09-09 17:57:29 +0000},
66     Doi = {10.1103/PhysRevE.49.3079},
67     Issue = {4},
68     Journal = {Phys. Rev. E},
69     Month = {Apr},
70     Pages = {3079--3092},
71     Publisher = {American Physical Society},
72     Title = {Hydrodynamic boundary conditions, correlation functions, and Kubo relations for confined fluids},
73     Url = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
74     Volume = {49},
75     Year = {1994},
76     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
77     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.49.3079}}
78    
79     @article{Mundy1997305,
80     Author = {Christopher J. Mundy and Sundaram Balasubramanian and Michael L. Klein},
81     Date-Added = {2013-09-09 17:02:36 +0000},
82     Date-Modified = {2013-09-09 18:38:42 +0000},
83     Doi = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4},
84     Issn = {0378-4371},
85     Journal = {Physica A: Statistical Mechanics and its Applications},
86     Number = {1--2},
87     Pages = {305 - 314},
88     Title = {Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics},
89     Url = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
90     Volume = {240},
91     Year = {1997},
92     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
93     Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4}}
94    
95 gezelter 3951 @article{Bresme08,
96     Author = {Bresme, Fernando and Lervik, Anders and Bedeaux, Dick and Kjelstrup, Signe},
97     Date-Added = {2013-09-09 13:16:41 +0000},
98     Date-Modified = {2013-09-09 13:16:47 +0000},
99     Doi = {10.1103/PhysRevLett.101.020602},
100     Issue = {2},
101     Journal = {Phys. Rev. Lett.},
102     Month = {Jul},
103     Numpages = {4},
104     Pages = {020602},
105     Publisher = {American Physical Society},
106     Title = {Water Polarization under Thermal Gradients},
107     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
108     Volume = {101},
109     Year = {2008},
110     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
111     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.020602}}
112    
113     @article{Nada03,
114     Author = {Hiroki Nada and Jan P. J. M. van der Eerden},
115     Date-Added = {2013-09-09 13:15:08 +0000},
116     Date-Modified = {2013-09-09 13:15:17 +0000},
117     Doi = {10.1063/1.1562610},
118     Journal = {The Journal of Chemical Physics},
119     Keywords = {potential energy functions; ice; water; melting point; Monte Carlo methods; thermodynamic properties; liquid structure},
120     Number = {16},
121     Pages = {7401-7413},
122     Publisher = {AIP},
123     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},
124     Url = {http://link.aip.org/link/?JCP/118/7401/1},
125     Volume = {118},
126     Year = {2003},
127     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/7401/1},
128     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1562610}}
129    
130     @article{Wierzbicki07,
131     Author = {Wierzbicki, Andrzej and Dalal, Pranav and Cheatham, Thomas E. and Knickelbein, Jared E. and Haymet, A. D. J. and Madura, Jeffry D.},
132     Date = {2007/09/01},
133     Date-Added = {2013-09-09 13:13:07 +0000},
134     Date-Modified = {2013-09-09 13:13:15 +0000},
135 gezelter 3954 Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
136 gezelter 3951 Isbn = {0006-3495},
137     Journal = {Biophysical journal},
138     Journal1 = {Biophysical journal},
139     Journal2 = {Biophys J},
140     Month = {09},
141     Number = {5},
142     Pages = {1442--1451},
143     Publisher = {Cell Press},
144     Title = {Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins},
145     Ty = {ABST},
146     Url = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054},
147     Volume = {93},
148     Year = {2007},
149     Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054}}
150    
151     @article{Pit99,
152     Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane},
153     Booktitle = {Tribology Letters},
154     Da = {1999/09/01},
155     Date-Added = {2013-09-09 13:10:25 +0000},
156     Date-Modified = {2013-09-09 13:10:42 +0000},
157     Doi = {10.1023/A:1019161101812},
158     Isbn = {1023-8883},
159     J2 = {Tribology Letters},
160     Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface},
161     La = {English},
162     Number = {2-3},
163     Pages = {147-152},
164     Publisher = {Kluwer Academic Publishers-Plenum Publishers},
165     Title = {Friction and slip of a simple liquid at a solid surface},
166     Ty = {JOUR},
167     Url = {http://dx.doi.org/10.1023/A%3A1019161101812},
168     Volume = {7},
169     Year = {1999},
170     Bdsk-Url-1 = {http://dx.doi.org/10.1023/A%3A1019161101812},
171     Bdsk-Url-2 = {http://dx.doi.org/10.1023/A:1019161101812}}
172    
173 gezelter 3945 @article{OOPSE,
174     Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
175     Date-Added = {2013-09-03 20:42:45 +0000},
176     Date-Modified = {2013-09-03 20:42:45 +0000},
177     Doi = {10.1002/jcc.20161},
178     Issn = {1096-987X},
179     Journal = {Journal of Computational Chemistry},
180     Keywords = {OOPSE, molecular dynamics},
181     Number = {3},
182     Pages = {252--271},
183     Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
184     Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
185     Url = {http://dx.doi.org/10.1002/jcc.20161},
186     Volume = {26},
187     Year = {2005},
188     Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
189    
190     @article{Ewald,
191     Author = {C. J. Fennell and J. D. Gezelter},
192     Date-Added = {2013-09-03 20:42:37 +0000},
193     Date-Modified = {2013-09-03 20:42:37 +0000},
194     Journal = {J. Chem. Phys.},
195     Keywords = {Ewald and OpenMD},
196     Month = {June},
197     Pages = {234104},
198     Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
199     Volume = {124},
200     Year = {2006}}
201    
202     @misc{openmd,
203     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},
204     Date-Added = {2013-09-03 20:42:37 +0000},
205     Date-Modified = {2013-09-03 20:42:37 +0000},
206     Howpublished = {Available at {\tt http://openmd.org}},
207     Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}}
208    
209     @article{Buch:2008fk,
210     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.},
211     Author = {Buch, V. and Groenzin, H. and Li, I. and Shultz, M. J. and Tosatti, E.},
212     Date-Added = {2013-09-03 20:15:03 +0000},
213     Date-Modified = {2013-09-03 20:15:11 +0000},
214     Doi = {10.1073/pnas.0710129105},
215     Eprint = {http://www.pnas.org/content/105/16/5969.full.pdf+html},
216     Journal = {Proceedings of the National Academy of Sciences},
217     Number = {16},
218     Pages = {5969-5974},
219     Title = {Proton order in the ice crystal surface},
220     Url = {http://www.pnas.org/content/105/16/5969.abstract},
221     Volume = {105},
222     Year = {2008},
223     Bdsk-Url-1 = {http://www.pnas.org/content/105/16/5969.abstract},
224     Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0710129105}}
225    
226     @article{Wilson08,
227     Author = {Wilson, P. W. and Haymet, A. D. J.},
228     Date-Added = {2013-09-03 20:09:39 +0000},
229     Date-Modified = {2013-09-03 20:09:47 +0000},
230     Doi = {10.1021/jp804047x},
231     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804047x},
232     Journal = {The Journal of Physical Chemistry B},
233     Note = {PMID: 18720967},
234     Number = {37},
235     Pages = {11750-11755},
236     Title = {Workman−Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces},
237     Url = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
238     Volume = {112},
239     Year = {2008},
240     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
241     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804047x}}
242    
243     @article{Nada12,
244     Author = {Nada, Hiroki and Furukawa, Yoshinori},
245     Date = {2012/07//print},
246     Date-Added = {2013-09-03 20:08:08 +0000},
247     Date-Modified = {2013-09-03 20:08:14 +0000},
248     Isbn = {0032-3896},
249     Journal = {Polym J},
250     Month = {07},
251     Number = {7},
252     Pages = {690--698},
253     Publisher = {The Society of Polymer Science, Japan},
254     Title = {Antifreeze proteins: computer simulation studies on the mechanism of ice growth inhibition},
255     Ty = {JOUR},
256     Url = {http://dx.doi.org/10.1038/pj.2012.13},
257     Volume = {44},
258     Year = {2012},
259     Bdsk-Url-1 = {http://dx.doi.org/10.1038/pj.2012.13}}
260    
261     @article{Smith05,
262     Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
263     Date-Added = {2013-09-03 20:03:24 +0000},
264     Date-Modified = {2013-09-03 20:03:30 +0000},
265     Doi = {10.1063/1.1953578},
266     Eid = {034706},
267     Journal = {The Journal of Chemical Physics},
268     Keywords = {chlorine; sodium; ice; water; positive ions; negative ions; free energy; solvation; molecular dynamics method; interface phenomena; melting point},
269     Number = {3},
270     Numpages = {16},
271     Pages = {034706},
272     Publisher = {AIP},
273     Title = {Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl[sup -] and Na[sup +] in the ice/water interface},
274     Url = {http://link.aip.org/link/?JCP/123/034706/1},
275     Volume = {123},
276     Year = {2005},
277     Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/034706/1},
278     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1953578}}
279    
280     @article{Chapsky97,
281     Author = {Chapsky, Lars and Rubinsky, Boris},
282     Date = {1997/07/21},
283     Date-Added = {2013-09-03 20:02:20 +0000},
284     Date-Modified = {2013-09-03 20:02:28 +0000},
285     Id = {S0014-5793(97)00787-4},
286     Isbn = {0014-5793},
287     Journal = {FEBS letters},
288     Journal1 = {FEBS letters},
289     Journal2 = {FEBS Lett},
290     Keywords = {Antifreeze proteins; Protein adsorption; Temperature gradient thermometry; Ice},
291     Month = {07},
292     Number = {1},
293     Pages = {241--244},
294     Publisher = {Elsevier Science B.V.},
295     Title = {Kinetics of antifreeze protein-induced ice growth inhibition},
296     Ty = {ABST},
297     Url = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true},
298     Volume = {412},
299     Year = {1997},
300     Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true}}
301    
302     @article{Sakai96,
303     Author = {Hideki Sakai},
304     Date-Added = {2013-09-03 20:01:26 +0000},
305     Date-Modified = {2013-09-03 20:01:36 +0000},
306     Doi = {http://dx.doi.org/10.1016/0039-6028(96)01033-3},
307     Issn = {0039-6028},
308     Journal = {Surface Science},
309     Keywords = {Surface melting},
310     Number = {3},
311     Pages = {387 - 392},
312     Title = {How does a slab-shaped solid melt?},
313     Url = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
314     Volume = {348},
315     Year = {1996},
316     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
317     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(96)01033-3}}
318    
319     @article{Sakai96B,
320     Author = {Hideki Sakai},
321     Date-Added = {2013-09-03 20:00:35 +0000},
322     Date-Modified = {2013-09-03 20:01:43 +0000},
323     Doi = {http://dx.doi.org/10.1016/0039-6028(95)01263-X},
324     Issn = {0039-6028},
325     Journal = {Surface Science},
326     Keywords = {Surface melting},
327     Number = {1--3},
328     Pages = {285 - 291},
329     Title = {Surface-induced melting of small particles},
330     Url = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
331     Volume = {351},
332     Year = {1996},
333     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
334     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)01263-X}}
335    
336     @article{Vanfleet95,
337     Author = {Richard R. Vanfleet and J.M. Mochel},
338     Date-Added = {2013-09-03 19:59:42 +0000},
339     Date-Modified = {2013-09-03 19:59:51 +0000},
340     Doi = {http://dx.doi.org/10.1016/0039-6028(95)00728-8},
341     Issn = {0039-6028},
342     Journal = {Surface Science},
343     Keywords = {Wetting},
344     Number = {1--2},
345     Pages = {40 - 50},
346     Title = {Thermodynamics of melting and freezing in small particles},
347     Url = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
348     Volume = {341},
349     Year = {1995},
350     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
351     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)00728-8}}
352    
353     @article{Granasy95,
354     Author = {Granasy, Laszlo},
355     Date-Added = {2013-09-03 19:58:11 +0000},
356     Date-Modified = {2013-09-03 19:58:23 +0000},
357     Doi = {10.1021/j100038a061},
358     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100038a061},
359     Journal = {The Journal of Physical Chemistry},
360     Number = {38},
361     Pages = {14182-14187},
362     Title = {Diffuse Interface Analysis of Ice Nucleation in Undercooled Water},
363     Url = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
364     Volume = {99},
365     Year = {1995},
366     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
367     Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100038a061}}
368    
369     @article{Han92,
370     Author = {Han, K. and Hale, B. N.},
371     Date-Added = {2013-09-03 19:57:15 +0000},
372     Date-Modified = {2013-09-03 19:57:24 +0000},
373     Doi = {10.1103/PhysRevB.45.29},
374     Issue = {1},
375     Journal = {Phys. Rev. B},
376     Month = {Jan},
377     Pages = {29--35},
378     Publisher = {American Physical Society},
379     Title = {Monte Carlo study of a simple model bulk-ice-Ih system: \textit{P} - \textit{T} melting behavior at constant volume},
380     Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
381     Volume = {45},
382     Year = {1992},
383     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
384     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.29}}
385    
386     @article{Duman:2001qy,
387     Author = {Duman, J. G.},
388     Date-Added = {2013-09-03 19:23:31 +0000},
389     Date-Modified = {2013-09-03 19:23:31 +0000},
390     Isi = {Isi:000168071900015},
391     Issn = {0066-4278},
392     Journal = {Ann. Rev. Physiology},
393     Pages = {327--357},
394     Publication-Type = {J},
395     Title = {Antifreeze and Ice Nucleator Proteins in Terrestrial Arthropods},
396     Volume = {63},
397     Year = {2001}}
398    
399     @article{Meister29012013,
400     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.},
401     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},
402     Date-Added = {2013-09-03 19:22:18 +0000},
403     Date-Modified = {2013-09-03 19:22:18 +0000},
404     Doi = {10.1073/pnas.1214911110},
405     Eprint = {http://www.pnas.org/content/110/5/1617.full.pdf+html},
406     Journal = {Proceedings of the National Academy of Sciences},
407     Number = {5},
408     Pages = {1617-1622},
409     Title = {Long-range protein--water dynamics in hyperactive insect antifreeze proteins},
410     Url = {http://www.pnas.org/content/110/5/1617.abstract},
411     Volume = {110},
412     Year = {2013},
413     Bdsk-Url-1 = {http://www.pnas.org/content/110/5/1617.abstract},
414     Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1214911110}}
415    
416 plouden 3942 @article{Nada05,
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418     Date-Added = {2013-08-30 00:03:37 +0000},
419 gezelter 3945 Date-Modified = {2013-09-03 19:53:16 +0000},
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428     Date-Added = {2013-08-25 18:29:26 +0000},
429     Date-Modified = {2013-08-25 18:30:32 +0000},
430     Journal = {J. Chem. Phys. B},
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432     Title = {On the Molecular Mechanism of Water Reorientation},
433     Volume = {112},
434     Year = {2008}}
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438     Date-Added = {2013-08-25 18:26:35 +0000},
439     Date-Modified = {2013-08-25 18:27:51 +0000},
440     Journal = {JACS},
441     Pages = {13103-13109},
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448     Date-Added = {2013-07-15 18:33:15 +0000},
449     Date-Modified = {2013-07-15 18:34:17 +0000},
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456 plouden 3924 @article{Wilson10,
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458     Date-Added = {2013-07-15 18:25:02 +0000},
459     Date-Modified = {2013-07-15 18:26:04 +0000},
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461     Pages = {12585},
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466 plouden 3924 @article{Rick03,
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468     Date-Added = {2013-07-15 16:05:32 +0000},
469     Date-Modified = {2013-07-15 16:06:41 +0000},
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477 gezelter 3918 @article{Davidchack12,
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479     Date-Added = {2013-07-11 21:25:47 +0000},
480     Date-Modified = {2013-07-11 21:34:56 +0000},
481     Doi = {10.1021/ct300193e},
482     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
483 gezelter 3918 Journal = {Journal of Chemical Theory and Computation},
484 plouden 3924 Number = {7},
485     Pages = {2383-2390},
486     Title = {Ice Ih--Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions},
487     Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
488 gezelter 3918 Volume = {8},
489     Year = {2012},
490 plouden 3924 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
491     Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
492 gezelter 3918
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604     Journal = {Surface Science},
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608     Year = {2000}}
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610 plouden 3919 @article{Bryk02,
611     Author = {T. Bryk and A. D. J. Haymet},
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615     Number = {22},
616     Pages = {10258-10268},
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624     Date-Modified = {2013-07-12 19:43:12 +0000},
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626     Pages = {3712-3719},
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628 gezelter 3897 Volume = {4},
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630 gezelter 3897
631 plouden 3924 @article{Rick01,
632     Author = {S. W. Rick},
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636     Number = {5},
637     Pages = {2276-2283},
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639     Volume = {114},
640     Year = {2001}}
641 gezelter 3897
642     @article{Hayward01,
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646     Journal = {J. Chem. Phys.},
647     Number = {8},
648     Pages = {3713-3726},
649     Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
650 gezelter 3897 Volume = {114},
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652 gezelter 3897
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883     Date-Modified = {2013-07-12 19:43:49 +0000},
884     Journal = {J. Chem. Phys.},
885     Pages = {164101},
886     Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
887     Volume = {133},
888     Year = {2010}}
889    
890     @article{Berendsen87,
891     Author = {H. J. C. Berendsen and J. R. Grigera and T. P. Straatsma},
892     Date-Added = {2013-01-25 21:04:56 +0000},
893     Date-Modified = {2013-07-12 19:41:50 +0000},
894     Journal = {JACS},
895     Number = {24},
896     Pages = {6269-6271},
897     Title = {The Missing Term In Effective Pair Potentials},
898     Volume = {91},
899     Year = {1987}}