ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/iceWater/iceWater.bib
(Generate patch)

Comparing trunk/iceWater/iceWater.bib (file contents):
Revision 3898 by plouden, Wed Jun 19 17:35:30 2013 UTC vs.
Revision 3954 by gezelter, Mon Sep 9 18:48:22 2013 UTC

# Line 2 | Line 2
2   %% http://bibdesk.sourceforge.net/
3  
4  
5 < %% Created for Patrick Louden at 2013-06-19 13:31:56 -0400
5 > %% Created for Dan Gezelter at 2013-09-09 14:47:22 -0400
6  
7  
8   %% Saved with string encoding Unicode (UTF-8)
9  
10  
11  
12 < @article{Gonzalez10,
13 <        Author = {M. A. Gonzalez, J. L. F. Abascal},
12 > @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 > @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 >        Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
136 >        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 > @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 > @article{Nada05,
417 >        Author = {H. Nada and Y. Furukawa},
418 >        Date-Added = {2013-08-30 00:03:37 +0000},
419 >        Date-Modified = {2013-09-03 19:53:16 +0000},
420 >        Journal = {Journal of Crystal Growth},
421 >        Pages = {242-256},
422 >        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}},
423 >        Volume = {283},
424 >        Year = {2005}}
425 >
426 > @article{Laage08,
427 >        Author = {D. Laage and J. T. Hynes},
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},
431 >        Pages = {14230-14242},
432 >        Title = {On the Molecular Mechanism of Water Reorientation},
433 >        Volume = {112},
434 >        Year = {2008}}
435 >
436 > @article{Furse08,
437 >        Author = {K. E. Furse and S. A. Corcelli},
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},
442 >        Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA},
443 >        Volume = {130},
444 >        Year = {2008}}
445 >
446 > @article{Bryk04,
447 >        Author = {T. Bryk and A. D. J. Haymet},
448 >        Date-Added = {2013-07-15 18:33:15 +0000},
449 >        Date-Modified = {2013-07-15 18:34:17 +0000},
450 >        Journal = {Journal of Molecular Liquids},
451 >        Pages = {47-50},
452 >        Title = {Charge separation at the ice/water interface: a molecular dynamics simulation study of solute ions at the ice basal plane},
453 >        Volume = {112},
454 >        Year = {2004}}
455 >
456 > @article{Wilson10,
457 >        Author = {P. W. Wilson and A. D. J. Haymet},
458 >        Date-Added = {2013-07-15 18:25:02 +0000},
459 >        Date-Modified = {2013-07-15 18:26:04 +0000},
460 >        Journal = {J. Phys. Chem.},
461 >        Pages = {12585},
462 >        Title = {Effect of Ice Growth on the Measured WOrkman-Reynolds Freezing Potential between Ice and Dilute NaCl Soltutions},
463 >        Volume = {114},
464 >        Year = {2010}}
465 >
466 > @article{Rick03,
467 >        Author = {S. W. Rick and A. D. J. Haymet},
468 >        Date-Added = {2013-07-15 16:05:32 +0000},
469 >        Date-Modified = {2013-07-15 16:06:41 +0000},
470 >        Journal = {J. Chem. Phys.},
471 >        Number = {20},
472 >        Pages = {9291-9296},
473 >        Title = {Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations},
474 >        Volume = {118},
475 >        Year = {2003}}
476 >
477 > @article{Davidchack12,
478 >        Author = {Davidchack, Ruslan L. and Handel, Richard and Anwar, Jamshed and Brukhno, Andrey V.},
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 >        Journal = {Journal of Chemical Theory and Computation},
484 >        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 >        Volume = {8},
489 >        Year = {2012},
490 >        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
491 >        Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
492 >
493 > @article{Armstrong13,
494 >        Author = {J. A. Armstrong and F. Bresme},
495 >        Date-Added = {2013-07-11 19:35:13 +0000},
496 >        Date-Modified = {2013-07-12 19:40:42 +0000},
497 >        Journal = {J. Chem. Phys.},
498 >        Pages = {014504},
499 >        Title = {Water polarization induced by thermal gradients: Te extended simple point charge model (SPC/E)},
500 >        Volume = {139},
501 >        Year = {2013}}
502 >
503 > @article{Smith93,
504 >        Author = {P. E. Smith and W F. van Gunsteren},
505 >        Date-Added = {2013-06-19 17:39:04 +0000},
506 >        Date-Modified = {2013-07-12 19:44:47 +0000},
507 >        Journal = {Chem. Phys. Letters},
508 >        Number = {4},
509 >        Pages = {315-318},
510 >        Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
511 >        Volume = {215},
512 >        Year = {1993}}
513 >
514 > @article{Gonzalez10,
515 >        Author = {M. A. Gonzalez and J. L. F. Abascal},
516          Date-Added = {2013-06-19 17:30:15 +0000},
517 <        Date-Modified = {2013-06-19 17:31:54 +0000},
517 >        Date-Modified = {2013-07-12 19:42:54 +0000},
518          Journal = {J. Chem. Phys.},
519          Pages = {096101-1},
520          Title = {The shear viscosity of rigid water models},
# Line 20 | Line 522
522          Year = {2010}}
523  
524   @article{Balasubramanian96,
525 <        Author = {S. Balasubramanian, C. J. Mundy, M. L. Klein},
525 >        Author = {S. Balasubramanian and C. J. Mundy and M. L. Klein},
526          Date-Added = {2013-06-19 17:28:24 +0000},
527 <        Date-Modified = {2013-06-19 17:29:47 +0000},
527 >        Date-Modified = {2013-07-12 19:41:03 +0000},
528          Journal = {J. Chem. Phys.},
529          Number = {24},
530          Pages = {11190-11195},
# Line 31 | Line 533
533          Year = {1996}}
534  
535   @article{Guo01,
536 <        Author = {G. Guo, Y. Zhang},
536 >        Author = {G. Guo and Y. Zhang},
537          Date-Added = {2013-06-19 17:27:08 +0000},
538 <        Date-Modified = {2013-06-19 17:28:03 +0000},
538 >        Date-Modified = {2013-07-12 19:43:00 +0000},
539          Journal = {Molecular Physics},
540          Number = {4},
541          Pages = {283-289},
# Line 53 | Line 555
555          Year = {2002}}
556  
557   @article{Balasubramanian99,
558 <        Author = {S. Balasubramanian, C. J. Mundy},
558 >        Author = {S. Balasubramanian and C. J. Mundy},
559          Date-Added = {2013-06-13 16:47:33 +0000},
560 <        Date-Modified = {2013-06-13 16:49:21 +0000},
560 >        Date-Modified = {2013-07-12 19:41:12 +0000},
561          Journal = {Bull. Mater. Sci.},
562          Number = {5},
563          Pages = {873-876},
# Line 64 | Line 566
566          Year = {1999}}
567  
568   @article{Arbuckle02,
569 <        Author = {B. W. Arbuckle, P. Clancy},
569 >        Author = {B. W. Arbuckle and P. Clancy},
570          Date-Added = {2013-04-26 19:34:32 +0000},
571 <        Date-Modified = {2013-04-26 19:35:37 +0000},
571 >        Date-Modified = {2013-07-12 19:40:33 +0000},
572          Journal = {J. Chem. Phys.},
573          Number = {12},
574          Pages = {5090-5098},
# Line 75 | Line 577
577          Year = {2002}}
578  
579   @article{Baez95,
580 <        Author = {L. A. Baez, P. Clancy},
580 >        Author = {L. A. Baez and P. Clancy},
581          Date-Added = {2013-04-17 20:31:40 +0000},
582 <        Date-Modified = {2013-04-17 20:32:34 +0000},
582 >        Date-Modified = {2013-07-12 19:40:50 +0000},
583          Journal = {J. Chem. Phys.},
584          Number = {22},
585          Pages = {9744-9755},
# Line 86 | Line 588
588          Year = {1995}}
589  
590   @article{Nada95,
591 <        Author = {H. Nada, Y. Furukawa},
591 >        Author = {H. Nada and Y. Furukawa},
592          Date-Added = {2013-04-17 18:46:57 +0000},
593 <        Date-Modified = {2013-04-17 18:48:19 +0000},
593 >        Date-Modified = {2013-07-12 19:44:26 +0000},
594          Journal = {Jpn. J. Appl. Phys.},
595          Pages = {583-588},
596          Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
597          Volume = {34},
598          Year = {1995}}
599  
98 – @article{Nada03,
99 –        Author = {H. Nada, J. P. J. M. van der Eerden},
100 –        Date-Added = {2013-04-17 18:45:21 +0000},
101 –        Date-Modified = {2013-04-17 18:46:42 +0000},
102 –        Journal = {J. Chem. Phys.},
103 –        Number = {16},
104 –        Pages = {7401-7413},
105 –        Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-sit model for H2O},
106 –        Volume = {118},
107 –        Year = {2003}}
108 –
600   @article{Nada00,
601 <        Author = {H. Nada, Y. Furukawa},
601 >        Author = {H. Nada and Y. Furukawa},
602          Date-Added = {2013-04-17 18:43:16 +0000},
603 <        Date-Modified = {2013-04-17 18:44:49 +0000},
603 >        Date-Modified = {2013-07-12 19:44:13 +0000},
604          Journal = {Surface Science},
605          Pages = {1-16},
606          Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
# Line 117 | Line 608
608          Year = {2000}}
609  
610   @article{Bryk02,
611 <        Author = {T. Bryk, A. D. J. Haymet},
611 >        Author = {T. Bryk and A. D. J. Haymet},
612          Date-Added = {2013-04-12 18:10:25 +0000},
613 <        Date-Modified = {2013-04-12 18:11:48 +0000},
613 >        Date-Modified = {2013-07-12 19:41:58 +0000},
614          Journal = {J. Chem. Phys.},
615          Number = {22},
616          Pages = {10258-10268},
# Line 128 | Line 619
619          Year = {2002}}
620  
621   @article{Hayward02,
622 <        Author = {J. A. Hayward, A. D. J. Haymet},
622 >        Author = {J. A. Hayward and A. D. J. Haymet},
623          Date-Added = {2013-04-10 20:51:16 +0000},
624 <        Date-Modified = {2013-04-10 20:52:36 +0000},
624 >        Date-Modified = {2013-07-12 19:43:12 +0000},
625          Journal = {Phys. Chem. Chem. Phys.},
626          Pages = {3712-3719},
627          Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
# Line 149 | Line 640
640          Year = {2001}}
641  
642   @article{Hayward01,
643 <        Author = {J. A. Hayward, A. D. J. Haymet},
643 >        Author = {J. A. Hayward and A. D. J. Haymet},
644          Date-Added = {2013-04-10 19:52:17 +0000},
645 <        Date-Modified = {2013-04-10 19:54:48 +0000},
645 >        Date-Modified = {2013-07-12 19:43:07 +0000},
646          Journal = {J. Chem. Phys.},
647          Number = {8},
648          Pages = {3713-3726},
# Line 160 | Line 651
651          Year = {2001}}
652  
653   @article{Beaglehole93,
654 <        Author = {D. Beaglehole, P. Wilson},
654 >        Author = {D. Beaglehole and P. Wilson},
655          Date-Added = {2013-01-25 22:22:46 +0000},
656 <        Date-Modified = {2013-01-25 22:23:28 +0000},
656 >        Date-Modified = {2013-07-12 19:41:37 +0000},
657          Journal = {J. Phys. Chem.},
658          Pages = {11053-11055},
659          Title = {Thickness and Anisotropy of the Ice-Water Interface},
# Line 170 | Line 661
661          Year = {1993}}
662  
663   @article{Barnaal67,
664 <        Author = {D. E. Barnaal, I. J. Lowe},
664 >        Author = {D. E. Barnaal and I. J. Lowe},
665          Date-Added = {2013-01-25 22:17:46 +0000},
666 <        Date-Modified = {2013-01-25 22:22:39 +0000},
666 >        Date-Modified = {2013-07-12 19:41:19 +0000},
667          Journal = {J. Chem. Phys.},
668          Number = {12},
669          Pages = {4800- 4809},
# Line 181 | Line 672
672          Year = {1967}}
673  
674   @article{Peterson57,
675 <        Author = {S. W. Peterson, H. A. Levy},
675 >        Author = {S. W. Peterson and H. A. Levy},
676          Date-Added = {2013-01-25 22:16:38 +0000},
677 <        Date-Modified = {2013-01-25 22:17:41 +0000},
677 >        Date-Modified = {2013-07-12 19:44:32 +0000},
678          Journal = {Acta Cryst.},
679          Pages = {70-76},
680          Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
# Line 191 | Line 682
682          Year = {1957}}
683  
684   @article{Huler76,
685 <        Author = {E. Huler, A. Zunger},
685 >        Author = {E. Huler and A. Zunger},
686          Date-Added = {2013-01-25 22:12:37 +0000},
687 <        Date-Modified = {2013-01-25 22:13:46 +0000},
687 >        Date-Modified = {2013-07-12 19:43:25 +0000},
688          Journal = {J. Chem. Phys.},
689          Pages = {433-440},
690          Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
# Line 201 | Line 692
692          Year = {1976}}
693  
694   @article{Weber83,
695 <        Author = {T. A. Weber, F. H. Stillinger},
695 >        Author = {T. A. Weber and F. H. Stillinger},
696          Date-Added = {2013-01-25 22:08:55 +0000},
697 <        Date-Modified = {2013-01-25 22:12:35 +0000},
697 >        Date-Modified = {2013-07-12 19:45:05 +0000},
698          Journal = {J. Phys. Chem.},
699          Pages = {4277-4281},
700          Title = {Molecular Dynamics Study of Ice Crystallite Melting},
# Line 211 | Line 702
702          Year = {1983}}
703  
704   @article{Rahman72,
705 <        Author = {A. Rahman, F. H. Stillinger},
705 >        Author = {A. Rahman and F. H. Stillinger},
706          Date-Added = {2013-01-25 22:07:43 +0000},
707 <        Date-Modified = {2013-01-25 22:12:09 +0000},
707 >        Date-Modified = {2013-07-12 19:44:37 +0000},
708          Journal = {J. Chem. Phys.},
709          Number = {9},
710          Pages = {4009-4017},
# Line 232 | Line 723
723          Year = {1972}}
724  
725   @article{Townsend83,
726 <        Author = {M. Townsend, S. A. Rice},
726 >        Author = {M. Townsend and S. A. Rice},
727          Date-Added = {2013-01-25 22:04:31 +0000},
728 <        Date-Modified = {2013-01-25 22:12:24 +0000},
728 >        Date-Modified = {2013-07-12 19:44:52 +0000},
729          Journal = {J. Chem. Phys.},
730          Pages = {2496-2498},
731          Title = {A test of an effective pair potential for liquid water},
# Line 242 | Line 733
733          Year = {1983}}
734  
735   @article{Deutsch83,
736 <        Author = {P. W. Deutsch, B. N. Hale, R. C. Ward, D. A. Reago Jr.},
736 >        Author = {P. W. Deutsch and B. N. Hale and R. C. Ward and D. A. Reago Jr.},
737          Date-Added = {2013-01-25 22:01:53 +0000},
738 <        Date-Modified = {2013-01-25 22:10:54 +0000},
738 >        Date-Modified = {2013-07-12 19:42:29 +0000},
739          Journal = {J. Phys. Chem.},
740          Pages = {4309-4311},
741          Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
# Line 252 | Line 743
743          Year = {1983}}
744  
745   @article{Davidson84,
746 <        Author = {E. R. Davidson, K. Morokuma},
746 >        Author = {E. R. Davidson and K. Morokuma},
747          Date-Added = {2013-01-25 22:00:42 +0000},
748 <        Date-Modified = {2013-01-25 22:10:46 +0000},
748 >        Date-Modified = {2013-07-12 19:42:16 +0000},
749          Journal = {J. Chem. Phys.},
750          Pages = {3741-3742},
751          Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
# Line 262 | Line 753
753          Year = {1984}}
754  
755   @article{Cota77,
756 <        Author = {E. Cota, W. G. Hoover},
756 >        Author = {E. Cota and W. G. Hoover},
757          Date-Added = {2013-01-25 21:59:33 +0000},
758 <        Date-Modified = {2013-01-25 22:10:39 +0000},
758 >        Date-Modified = {2013-07-12 19:40:13 +0000},
759          Journal = {J. Chem. Phys.},
760          Number = {8},
761          Pages = {3839},
# Line 273 | Line 764
764          Year = {1977}}
765  
766   @article{Gay02,
767 <        Author = {S. C. Gay, E. J. Smith, A. D. J. Haymet},
767 >        Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
768          Date-Added = {2013-01-25 21:57:19 +0000},
769 <        Date-Modified = {2013-01-25 22:11:04 +0000},
769 >        Date-Modified = {2013-07-12 19:42:48 +0000},
770          Journal = {J. Chem. Phys.},
771          Number = {20},
772          Pages = {8876-8880},
# Line 284 | Line 775
775          Year = {2002}}
776  
777   @article{Karim90,
778 <        Author = {O. A. Karim, A. D. J. Haymet},
778 >        Author = {O. A. Karim and A. D. J. Haymet},
779          Date-Added = {2013-01-25 21:55:59 +0000},
780 <        Date-Modified = {2013-01-25 22:11:50 +0000},
780 >        Date-Modified = {2013-07-12 19:43:44 +0000},
781          Journal = {J. Chem. Phys.},
782          Pages = {4634},
783          Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
# Line 294 | Line 785
785          Year = {1990}}
786  
787   @article{Karim88,
788 <        Author = {O. A. Karim, A. D. J. Haymet},
788 >        Author = {O. A. Karim and A. D. J. Haymet},
789          Date-Added = {2013-01-25 21:53:57 +0000},
790 <        Date-Modified = {2013-01-25 22:11:43 +0000},
790 >        Date-Modified = {2013-07-12 19:43:37 +0000},
791          Journal = {J. Chem. Phys.},
792          Pages = {6889},
793          Title = {The ice/water interface: A molecular dynamics simulation study},
# Line 304 | Line 795
795          Year = {1988}}
796  
797   @article{Karim87,
798 <        Author = {O. A. Karim, A. D. J. Haymet},
798 >        Author = {O. A. Karim and A. D. J. Haymet},
799          Date-Added = {2013-01-25 21:52:35 +0000},
800 <        Date-Modified = {2013-01-25 22:11:35 +0000},
800 >        Date-Modified = {2013-07-12 19:43:31 +0000},
801          Journal = {Chem. Phys. Letters},
802          Number = {6},
803          Pages = {531-534},
# Line 315 | Line 806
806          Year = {1987}}
807  
808   @article{Batista01,
809 <        Author = {E. R. Batista, H. Jonsson},
809 >        Author = {E. R. Batista and H. Jonsson},
810          Date-Added = {2013-01-25 21:50:07 +0000},
811 <        Date-Modified = {2013-01-25 21:52:26 +0000},
811 >        Date-Modified = {2013-07-12 19:41:28 +0000},
812          Journal = {Computational Materials Science},
813          Pages = {325-336},
814          Title = {Diffusion and Island formation of the ice Ih basal plane surface},
# Line 335 | Line 826
826          Year = {2010}}
827  
828   @article{Vega05,
829 <        Author = {C. Vega, E. Sanz, J. L. F. Abascal},
829 >        Author = {C. Vega and E. Sanz and J. L. F. Abascal},
830          Date-Added = {2013-01-25 21:44:43 +0000},
831 <        Date-Modified = {2013-01-25 22:12:30 +0000},
831 >        Date-Modified = {2013-07-12 19:44:59 +0000},
832          Journal = {J. Chem. Phys.},
833          Pages = {114507},
834          Title = {The melting temperature of the most common models of water},
# Line 345 | Line 836
836          Year = {2005}}
837  
838   @article{Kumar09,
839 <        Author = {P. Kumar, S. V. Buldyrev, H. E. Stanley},
839 >        Author = {P. Kumar and S. V. Buldyrev and H. E. Stanley},
840          Date-Added = {2013-01-25 21:42:09 +0000},
841 <        Date-Modified = {2013-01-25 21:44:12 +0000},
841 >        Date-Modified = {2013-07-12 19:44:04 +0000},
842          Journal = {PNAS},
843          Number = {52},
844          Pages = {22130-22134},
# Line 356 | Line 847
847          Year = {2009}}
848  
849   @article{Errington01,
850 <        Author = {J. R. Errington, P. G. Debenedetti},
850 >        Author = {J. R. Errington and P. G. Debenedetti},
851          Date-Added = {2013-01-25 21:40:29 +0000},
852 <        Date-Modified = {2013-01-25 21:41:48 +0000},
852 >        Date-Modified = {2013-07-12 19:42:36 +0000},
853          Journal = {Nature},
854          Pages = {318-321},
855          Title = {Relationship between structural order and the anomalies of liquid water},
# Line 366 | Line 857
857          Year = {2001}}
858  
859   @article{Chau98,
860 <        Author = {P. L. Chau, A. J. Hardwick},
860 >        Author = {P. L. Chau and A. J. Hardwick},
861          Date-Added = {2013-01-25 21:39:31 +0000},
862 <        Date-Modified = {2013-01-25 21:40:24 +0000},
862 >        Date-Modified = {2013-07-12 19:42:07 +0000},
863          Journal = {Molecular Physics},
864          Number = {3},
865          Pages = {511-518},
# Line 377 | Line 868
868          Year = {1998}}
869  
870   @article{Kuang12,
871 <        Author = {S. Kuang, J. D. Gezelter},
871 >        Author = {S. Kuang and J. D. Gezelter},
872          Date-Added = {2013-01-25 21:35:01 +0000},
873 <        Date-Modified = {2013-01-25 21:36:21 +0000},
873 >        Date-Modified = {2013-07-12 19:43:55 +0000},
874          Journal = {Molecular Physics},
875          Pages = {691-701},
876          Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
# Line 387 | Line 878
878          Year = {2012}}
879  
880   @article{Kuang10,
881 <        Author = {S. Kuang, J. D. Gezelter},
881 >        Author = {S. Kuang and J. D. Gezelter},
882          Date-Added = {2013-01-25 21:27:09 +0000},
883 <        Date-Modified = {2013-01-25 22:11:56 +0000},
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  
399 – @article{Hirsch04,
400 –        Author = {T. K. Hirsch, L. Ojamae},
401 –        Date-Added = {2013-01-25 21:10:43 +0000},
402 –        Date-Modified = {2013-01-25 22:11:11 +0000},
403 –        Journal = {J. Phys. Chem.},
404 –        Pages = {15856-15864},
405 –        Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
406 –        Volume = {108},
407 –        Year = {2004}}
408 –
890   @article{Berendsen87,
891 <        Author = {H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma},
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 = {2013-01-25 22:10:18 +0000},
893 >        Date-Modified = {2013-07-12 19:41:50 +0000},
894          Journal = {JACS},
895          Number = {24},
896          Pages = {6269-6271},

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines