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1 %% This BibTeX bibliography file was created using BibDesk.
2 %% http://bibdesk.sourceforge.net/
3
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5 %% Created for Dan Gezelter at 2014-02-18 16:06:29 -0500
6
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8 %% Saved with string encoding Unicode (UTF-8)
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10
11
12 @book{Collings:1997rz,
13 Author = {Collings, P.J. and Hird, M.},
14 Date-Added = {2014-02-18 21:05:20 +0000},
15 Date-Modified = {2014-02-18 21:05:20 +0000},
16 Isbn = {9780203211199},
17 Publisher = {Taylor \& Francis},
18 Series = {Liquid Crystals Book Series},
19 Title = {Introduction to Liquid Crystals: Chemistry and Physics},
20 Url = {http://books.google.com/books?id=GBeDkKpZ5VQC},
21 Year = {1997},
22 Bdsk-Url-1 = {http://books.google.com/books?id=GBeDkKpZ5VQC}}
23
24 @article{Cleaver:1996rt,
25 Author = {Cleaver, Douglas J. and Care, Christopher M. and Allen, Michael P. and Neal, Maureen P.},
26 Date-Added = {2014-02-18 21:01:40 +0000},
27 Date-Modified = {2014-02-18 21:01:42 +0000},
28 Doi = {10.1103/PhysRevE.54.559},
29 Issue = {1},
30 Journal = {Phys. Rev. E},
31 Month = {Jul},
32 Numpages = {0},
33 Pages = {559--567},
34 Publisher = {American Physical Society},
35 Title = {Extension and generalization of the Gay-Berne potential},
36 Url = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
37 Volume = {54},
38 Year = {1996},
39 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
40 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.54.559}}
41
42 @article{Kushick:1976xy,
43 Author = {Kushick, J. and Berne, Bruce J.},
44 Date-Added = {2014-02-18 21:00:21 +0000},
45 Date-Modified = {2014-02-18 21:00:21 +0000},
46 Doi = {http://dx.doi.org/10.1063/1.432403},
47 Journal = {The Journal of Chemical Physics},
48 Number = {4},
49 Pages = {1362-1367},
50 Title = {Computer simulation of anisotropic molecular fluids},
51 Url = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
52 Volume = {64},
53 Year = {1976},
54 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
55 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.432403}}
56
57 @article{Gay:1981yu,
58 Author = {Gay, J. G. and Berne, B. J.},
59 Date-Added = {2014-02-18 20:57:16 +0000},
60 Date-Modified = {2014-02-18 20:57:16 +0000},
61 Doi = {http://dx.doi.org/10.1063/1.441483},
62 Journal = {The Journal of Chemical Physics},
63 Number = {6},
64 Pages = {3316-3319},
65 Title = {Modification of the overlap potential to mimic a linear site--site potential},
66 Url = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
67 Volume = {74},
68 Year = {1981},
69 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
70 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.441483}}
71
72 @article{Luckhurst90,
73 Author = {Luckhurst, G.~R. and Stephens, R.~A. and Phippen, R.~W.},
74 Date = OCT,
75 Date-Added = {2014-02-18 20:38:33 +0000},
76 Date-Modified = {2014-02-18 20:38:33 +0000},
77 Journal = lc,
78 Number = 4,
79 Pages = {451 - 464},
80 Title = {COMPUTER-SIMULATION STUDIES OF ANISOTROPIC SYSTEMS .19. MESOPHASES FORMED BY THE GAY-BERNE MODEL MESOGEN},
81 Volume = 8,
82 Year = 1990}
83
84 @article{Berne72,
85 Author = {Berne, B.~J. and Pechukas, P},
86 Date-Added = {2014-02-18 20:38:09 +0000},
87 Date-Modified = {2014-02-18 20:38:09 +0000},
88 Journal = {Journal of Chemical Physics},
89 Number = 8,
90 Pages = {4213-4216},
91 Title = {Gaussian Model Potentials for Molecular Interactions},
92 Volume = 56,
93 Year = 1972}
94
95 @article{Choi:2008cr,
96 Author = {Choi, Jun-Ho and Oh, Kwang-Im and Lee, Hochan and Lee, Chewook and Cho, Minhaeng},
97 Date-Added = {2014-02-18 18:20:28 +0000},
98 Date-Modified = {2014-02-18 18:20:28 +0000},
99 Doi = {http://dx.doi.org/10.1063/1.2844787},
100 Eid = 134506,
101 Journal = {The Journal of Chemical Physics},
102 Number = {13},
103 Pages = {-},
104 Title = {Nitrile and thiocyanate IR probes: Quantum chemistry calculation studies and multivariate least-square fitting analysis},
105 Url = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
106 Volume = {128},
107 Year = {2008},
108 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
109 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2844787}}
110
111 @article{Fafarman:2010dq,
112 Author = {Fafarman, Aaron T. and Sigala, Paul A. and Herschlag, Daniel and Boxer, Steven G.},
113 Date-Added = {2014-02-18 18:13:20 +0000},
114 Date-Modified = {2014-02-18 18:13:20 +0000},
115 Doi = {10.1021/ja104573b},
116 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja104573b},
117 Journal = {Journal of the American Chemical Society},
118 Number = {37},
119 Pages = {12811-12813},
120 Title = {Decomposition of Vibrational Shifts of Nitriles into Electrostatic and Hydrogen-Bonding Effects},
121 Url = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
122 Volume = {132},
123 Year = {2010},
124 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
125 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja104573b}}
126
127 @article{Lindquist:2008bh,
128 Author = {Lindquist, Beth A. and Haws, Ryan T. and Corcelli, Steven A.},
129 Date-Added = {2014-02-18 16:27:15 +0000},
130 Date-Modified = {2014-02-18 16:27:15 +0000},
131 Doi = {10.1021/jp804900u},
132 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804900u},
133 Journal = {The Journal of Physical Chemistry B},
134 Note = {PMID: 18855431},
135 Number = {44},
136 Pages = {13991-14001},
137 Title = {Optimized Quantum Mechanics/Molecular Mechanics Strategies for Nitrile Vibrational Probes: Acetonitrile and para-Tolunitrile in Water and Tetrahydrofuran},
138 Url = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
139 Volume = {112},
140 Year = {2008},
141 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
142 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804900u}}
143
144 @article{Lindquist:2008qf,
145 Author = {Lindquist, Beth A. and Corcelli, Steven A.},
146 Date-Added = {2014-02-18 16:26:29 +0000},
147 Date-Modified = {2014-02-18 16:26:29 +0000},
148 Doi = {10.1021/jp802039e},
149 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp802039e},
150 Journal = {The Journal of Physical Chemistry B},
151 Note = {PMID: 18438998},
152 Number = {20},
153 Pages = {6301-6303},
154 Title = {Nitrile Groups as Vibrational Probes: Calculations of the CN Infrared Absorption Line Shape of Acetonitrile in Water and Tetrahydrofuran},
155 Url = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
156 Volume = {112},
157 Year = {2008},
158 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
159 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp802039e}}
160
161 @article{Waegele:2010ve,
162 Author = {Waegele, Matthias M. and Gai, Feng},
163 Date-Added = {2014-02-18 16:24:37 +0000},
164 Date-Modified = {2014-02-18 16:24:37 +0000},
165 Doi = {10.1021/jz900429z},
166 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jz900429z},
167 Journal = {The Journal of Physical Chemistry Letters},
168 Number = {4},
169 Pages = {781-786},
170 Title = {Computational Modeling of the Nitrile Stretching Vibration of 5-Cyanoindole in Water},
171 Url = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
172 Volume = {1},
173 Year = {2010},
174 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
175 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jz900429z}}
176
177 @article{Leyte:1997zl,
178 Abstract = {Time-resolved (TR) spectra of 5CB in the millisecond domain were obtained during excitation with electric fields of different time dependence: ac, dc, and ac $+$ dc. The response to ac excitation occurs mainly at twice the modulating frequency. The effect of the addition of dc to an ac field is the induction of an additional response at the ac frequency. The additional 'single frequency' response persists indefinitely, even though the response to the application of only a permanent dc field relaxes within roughly 200 ms. The amplitude of the oscillating responses diminishes with increasing ac frequency. This result is in accordance with the expected response to the torque exerted by the ac field. Different functional group absorptions respond without a significant phase difference in this time scale.},
179 Author = {J. C. Leyte and P. C. M. Van Woerkom},
180 Date-Added = {2014-02-18 16:19:03 +0000},
181 Date-Modified = {2014-02-18 16:19:03 +0000},
182 Journal = {Appl. Spectrosc.},
183 Month = {Nov},
184 Number = {11},
185 Pages = {1711--1714},
186 Publisher = {OSA},
187 Title = {FT-IR TRS of Liquid Crystalline 5CB in ac, dc, and ac $+$ dc Electric Fields},
188 Url = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711},
189 Volume = {51},
190 Year = {1997},
191 Bdsk-Url-1 = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711}}
192
193 @article{Moreno-Razo:2012rz,
194 Annote = {10.1038/nature11084},
195 Author = {Moreno-Razo, J. A. and Sambriski, E. J. and Abbott, N. L. and Hernandez-Ortiz, J. P. and de Pablo, J. J.},
196 Date = {2012/05/03/print},
197 Date-Added = {2014-02-18 16:07:15 +0000},
198 Date-Modified = {2014-02-18 16:07:15 +0000},
199 Day = {03},
200 Isbn = {0028-0836},
201 Journal = {Nature},
202 L3 = {http://www.nature.com/nature/journal/v485/n7396/abs/nature11084.html#supplementary-information},
203 M3 = {10.1038/nature11084},
204 Month = {05},
205 Number = {7396},
206 Pages = {86--89},
207 Publisher = {Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.},
208 Title = {Liquid-crystal-mediated self-assembly at nanodroplet interfaces},
209 Ty = {JOUR},
210 Url = {http://dx.doi.org/10.1038/nature11084},
211 Volume = {485},
212 Year = {2012},
213 Bdsk-Url-1 = {http://dx.doi.org/10.1038/nature11084}}
214
215 @article{Schkolnik:2012ty,
216 Author = {Schkolnik, Gal and Salewski, Johannes and Millo, Diego and Zebger, Ingo and Franzen, Stefan and Hildebrandt, Peter},
217 Date-Added = {2014-02-18 15:43:30 +0000},
218 Date-Modified = {2014-02-18 15:43:30 +0000},
219 Doi = {10.3390/ijms13067466},
220 Issn = {1422-0067},
221 Journal = {International Journal of Molecular Sciences},
222 Number = {6},
223 Pages = {7466--7482},
224 Pubmedid = {22837705},
225 Title = {Vibrational Stark Effect of the Electric-Field Reporter 4-Mercaptobenzonitrile as a Tool for Investigating Electrostatics at Electrode/SAM/Solution Interfaces},
226 Url = {http://www.mdpi.com/1422-0067/13/6/7466},
227 Volume = {13},
228 Year = {2012},
229 Bdsk-Url-1 = {http://www.mdpi.com/1422-0067/13/6/7466},
230 Bdsk-Url-2 = {http://dx.doi.org/10.3390/ijms13067466}}
231
232 @article{Andrews:2000qv,
233 Author = {Andrews, Steven S. and Boxer, Steven G.},
234 Date-Added = {2014-02-18 15:39:01 +0000},
235 Date-Modified = {2014-02-18 15:39:01 +0000},
236 Doi = {10.1021/jp002242r},
237 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp002242r},
238 Journal = {The Journal of Physical Chemistry A},
239 Number = {51},
240 Pages = {11853-11863},
241 Title = {Vibrational Stark Effects of Nitriles I. Methods and Experimental Results},
242 Url = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
243 Volume = {104},
244 Year = {2000},
245 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
246 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp002242r}}
247
248 @article{Oklejas:2002uq,
249 Author = {Oklejas, Vanessa and Sjostrom, Chris and Harris, Joel M.},
250 Date-Added = {2014-02-18 15:24:01 +0000},
251 Date-Modified = {2014-02-18 15:24:01 +0000},
252 Doi = {10.1021/ja017656s},
253 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja017656s},
254 Journal = {Journal of the American Chemical Society},
255 Number = {11},
256 Pages = {2408-2409},
257 Title = {SERS Detection of the Vibrational Stark Effect from Nitrile-Terminated SAMs to Probe Electric Fields in the Diffuse Double-Layer},
258 Url = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
259 Volume = {124},
260 Year = {2002},
261 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
262 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja017656s}}
263
264 @article{Lindquist:2009fk,
265 Abstract = {This paper presents an overview of recent experiments and theoretical developments aimed at using vibrational spectroscopy to understand the structure and dynamics of nitrile-labeled biomolecules. Nitrile groups are excellent vibrational probes of proteins and DNA because they absorb in a region of the spectrum that is relatively free of absorption due to the biomolecule{,} and they have high extinction coefficients. The vibrational frequency of nitrile groups is also extraordinarily sensitive to its local environment{,} and thus C[triple bond{,} length as m-dash]N bonds have been employed in both linear and 2-D infrared (IR) spectroscopy experiments and also as vibrational Stark probes of electric fields in proteins. The interpretation and design of these experiments would be enhanced by accurate calculations of IR spectra from molecular dynamics simulations. Recently{,} theoretical developments towards computing the vibrational spectrum of nitrile groups in the condensed-phase have been highly successful. A strong synergy between experiment and theory will further promote the use of vibrational spectroscopy of nitrile-labeled biomolecules to address fundamental questions of structure and dynamics that are elusive to other techniques.},
266 Author = {Lindquist, Beth A. and Furse, Kristina E. and Corcelli, Steven A.},
267 Date-Added = {2014-02-18 15:16:38 +0000},
268 Date-Modified = {2014-02-18 15:16:38 +0000},
269 Doi = {10.1039/B908588B},
270 Issue = {37},
271 Journal = {Phys. Chem. Chem. Phys.},
272 Pages = {8119-8132},
273 Publisher = {The Royal Society of Chemistry},
274 Title = {Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview},
275 Url = {http://dx.doi.org/10.1039/B908588B},
276 Volume = {11},
277 Year = {2009},
278 Bdsk-Url-1 = {http://dx.doi.org/10.1039/B908588B}}
279
280 @article{Meineke05,
281 Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
282 Date-Added = {2014-02-14 19:21:43 +0000},
283 Date-Modified = {2014-02-14 19:21:43 +0000},
284 Journal = {J. Comp. Chem.},
285 Pages = {252-271},
286 Title = {$\mbox{OOPSE: A}$n Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
287 Volume = 26,
288 Year = 2005}
289
290 @article{Fennell:2006zl,
291 Abstract = {We investigate pairwise electrostatic interaction methods and show that there are viable computationally efficient (O(N)) alternatives to the Ewald summation for typical modern molecular simulations. These methods are extended from the damped and cutoff-neutralized Coulombic sum originally proposed by Wolf [J. Chem. Phys. 110, 8255 (1999)]. One of these, the damped shifted force method, shows a remarkable ability to reproduce the energetic and dynamic characteristics exhibited by simulations employing lattice summation techniques. Comparisons were performed with this and other pairwise methods against the smooth particle-mesh Ewald summation to see how well they reproduce the energetics and dynamics of a variety of molecular simulations. (c) 2006 American Institute of Physics.},
292 Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
293 Author = {Fennell, Christopher~J. and Gezelter, J.~Daniel},
294 Date = {JUN 21 2006},
295 Date-Added = {2014-02-14 19:21:36 +0000},
296 Date-Modified = {2014-02-14 19:21:36 +0000},
297 Doi = {ARTN 234104},
298 Journal = jcp,
299 Publisher = {AMER INST PHYSICS},
300 Timescited = {15},
301 Title = {Is the {E}wald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
302 Volume = {124},
303 Year = {2006},
304 Bdsk-Url-1 = {http://dx.doi.org/234104}}
305
306 @article{PhysRevLett.111.227801,
307 Author = {Whitmer, Jonathan K. and Wang, Xiaoguang and Mondiot, Frederic and Miller, Daniel S. and Abbott, Nicholas L. and de Pablo, Juan J.},
308 Date-Added = {2014-02-06 20:01:25 +0000},
309 Date-Modified = {2014-02-06 20:01:25 +0000},
310 Doi = {10.1103/PhysRevLett.111.227801},
311 Issue = {22},
312 Journal = {Phys. Rev. Lett.},
313 Month = {Nov},
314 Numpages = {5},
315 Pages = {227801},
316 Publisher = {American Physical Society},
317 Title = {Nematic-Field-Driven Positioning of Particles in Liquid Crystal Droplets},
318 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.111.227801},
319 Volume = {111},
320 Year = {2013},
321 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.111.227801},
322 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.111.227801}}
323
324 @article{Oh:2008fk,
325 Abstract = {Nitrile- and thiocyanate-derivatized amino acids have been found to be useful IR probes for investigating their local electrostatic environments in proteins. To shed light on the CN stretch frequency shift and spectral lineshape change induced by interactions with hydrogen-bonding solvent molecules, we carried out both classical and quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) simulations for MeCN and MeSCN in water. These QM/MM and conventional force field MD simulation results were found to be inconsistent with the experimental results as well as with the high-level ab initio calculation results of MeCN-water and MeSCN-water potential energies. Thus, a new set of atomic partial charges of MeCN and MeSCN is obtained. By using the MD simulation trajectories and the electrostatic potential model recently developed, the CN and SCN stretching mode frequency trajectories were obtained and used to simulate the IR spectra. The C[Triple Bond]N frequency blueshifts of MeCN and MeSCN in water are estimated to be 9.0 and 1.9 cm(-1), respectively, in comparison with those of gas phase values. These values are found to be in reasonable agreement with the experimentally measured IR spectra of MeCN, MeSCN, beta-cyano-L-alanine, and cyanylated cysteine in water and other polar solvents.},
326 Author = {Oh, Kwang-Im and Choi, Jun-Ho and Lee, Joo-Hyun and Han, Jae-Beom and Lee, Hochan and Cho, Minhaeng},
327 Date-Added = {2014-02-06 18:11:52 +0000},
328 Date-Modified = {2014-02-06 18:11:52 +0000},
329 Doi = {10.1063/1.2904558},
330 Journal = {J Chem Phys},
331 Journal-Full = {The Journal of chemical physics},
332 Month = {Apr},
333 Number = {15},
334 Pages = {154504},
335 Pmid = {18433232},
336 Pst = {ppublish},
337 Title = {Nitrile and thiocyanate IR probes: molecular dynamics simulation studies},
338 Volume = {128},
339 Year = {2008},
340 Bdsk-File-1 = {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}}
341
342 @article{Gray:1973ca,
343 Author = {Gray, G.W. and Harrison, K.J. and Nash, J.A.},
344 Date-Added = {2014-01-20 19:18:33 +0000},
345 Date-Modified = {2014-01-20 19:18:35 +0000},
346 Doi = {10.1049/el:19730096},
347 Issn = {0013-5194},
348 Journal = {Electronics Letters},
349 Keywords = {display systems;electro-optical effects;liquid crystals;displays;nematic liquid crystals;positive dielectric anisotropy},
350 Number = {6},
351 Pages = {130-131},
352 Title = {New family of nematic liquid crystals for displays},
353 Volume = {9},
354 Year = {1973},
355 Bdsk-Url-1 = {http://dx.doi.org/10.1049/el:19730096}}
356
357 @article{Lee:2006qd,
358 Author = {Lee, Lay Min and Kwon, Hye J. and Kang, Joo H. and Nuzzo, Ralph G. and Schweizer, Kenneth S.},
359 Date-Added = {2014-01-20 19:14:33 +0000},
360 Date-Modified = {2014-01-20 19:39:28 +0000},
361 Doi = {http://dx.doi.org/10.1063/1.2210930},
362 Eid = 024705,
363 Journal = {The Journal of Chemical Physics},
364 Number = {2},
365 Pages = {024705},
366 Title = {Anchoring and electro-optical dynamics of thin liquid crystalline films in a polyimide cell: Experiment and theory},
367 Url = {http://scitation.aip.org/content/aip/journal/jcp/125/2/10.1063/1.2210930},
368 Volume = {125},
369 Year = {2006},
370 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/125/2/10.1063/1.2210930},
371 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2210930}}
372
373 @article{Zhang:2011hh,
374 Author = {Zhang, Jianguo and Su, Jiaye and Guo, Hongxia},
375 Date-Added = {2014-01-20 19:13:11 +0000},
376 Date-Modified = {2014-01-20 19:39:44 +0000},
377 Doi = {10.1021/jp111408n},
378 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp111408n},
379 Journal = {The Journal of Physical Chemistry B},
380 Number = {10},
381 Pages = {2214-2227},
382 Title = {An Atomistic Simulation for 4-Cyano-4$^\prime$-pentylbiphenyl and Its Homologue with a Reoptimized Force Field},
383 Url = {http://pubs.acs.org/doi/abs/10.1021/jp111408n},
384 Volume = {115},
385 Year = {2011},
386 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp111408n},
387 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp111408n}}
388
389 @article{Lim:2006xq,
390 Author = {Jong Kuk Lim and Ohyun Kwon and Dae Seung Kang and Sang-Woo Joo},
391 Date-Added = {2014-01-20 19:11:44 +0000},
392 Date-Modified = {2014-01-20 19:38:40 +0000},
393 Doi = {http://dx.doi.org/10.1016/j.cplett.2006.03.055},
394 Issn = {0009-2614},
395 Journal = {Chemical Physics Letters},
396 Number = {1--3},
397 Pages = {178 - 182},
398 Title = {Raman spectroscopy study and density functional theory calculations of the nematic liquid crystal 4-n-pentyl-4$^\prime$-cyanobiphenyl under an electric field},
399 Url = {http://www.sciencedirect.com/science/article/pii/S0009261406003873},
400 Volume = {423},
401 Year = {2006},
402 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261406003873},
403 Bdsk-Url-2 = {http://dx.doi.org/10.1016/j.cplett.2006.03.055}}
404
405 @article{Tucker:2004qq,
406 Author = {Tucker, Matthew J. and Getahun, Zelleka and Nanda, Vikas and DeGrado, William F. and Gai, Feng},
407 Date-Added = {2014-01-20 19:10:42 +0000},
408 Date-Modified = {2014-01-20 19:10:45 +0000},
409 Doi = {10.1021/ja032015d},
410 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja032015d},
411 Journal = {Journal of the American Chemical Society},
412 Number = {16},
413 Pages = {5078-5079},
414 Title = {A New Method for Determining the Local Environment and Orientation of Individual Side Chains of Membrane-Binding Peptides},
415 Url = {http://pubs.acs.org/doi/abs/10.1021/ja032015d},
416 Volume = {126},
417 Year = {2004},
418 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja032015d},
419 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja032015d}}
420
421 @article{Webb:2008kn,
422 Author = {Webb, Lauren J. and Boxer, Steven G.},
423 Date-Added = {2014-01-20 19:09:37 +0000},
424 Date-Modified = {2014-01-20 19:38:19 +0000},
425 Doi = {10.1021/bi701708u},
426 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/bi701708u},
427 Journal = {Biochemistry},
428 Note = {PMID: 18205401},
429 Number = {6},
430 Pages = {1588-1598},
431 Title = {Electrostatic Fields Near the Active Site of Human Aldose Reductase: 1. New Inhibitors and Vibrational Stark Effect Measurements},
432 Url = {http://pubs.acs.org/doi/abs/10.1021/bi701708u},
433 Volume = {47},
434 Year = {2008},
435 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/bi701708u},
436 Bdsk-Url-2 = {http://dx.doi.org/10.1021/bi701708u}}
437
438 @article{Boxer:2009xw,
439 Author = {Boxer, Steven G.},
440 Date-Added = {2014-01-20 19:07:47 +0000},
441 Date-Modified = {2014-01-20 19:37:48 +0000},
442 Doi = {10.1021/jp8067393},
443 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8067393},
444 Journal = {The Journal of Physical Chemistry B},
445 Number = {10},
446 Pages = {2972-2983},
447 Title = {Stark Realities},
448 Url = {http://pubs.acs.org/doi/abs/10.1021/jp8067393},
449 Volume = {113},
450 Year = {2009},
451 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp8067393},
452 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp8067393}}
453
454 @article{Hatta:1991ee,
455 Author = {A. Hatta and H. Amano and W. Su{\"e}taka},
456 Date-Added = {2014-01-20 19:05:00 +0000},
457 Date-Modified = {2014-01-20 19:05:03 +0000},
458 Doi = {http://dx.doi.org/10.1016/0924-2031(91)80006-A},
459 Issn = {0924-2031},
460 Journal = {Vibrational Spectroscopy},
461 Keywords = {Liquid crystals},
462 Number = {4},
463 Pages = {371 - 376},
464 Title = {Electric field response of 5CB liquid crystal molecules in the electrode boundary region as probed by modulation infrared \{ATR\} spectroscopy},
465 Url = {http://www.sciencedirect.com/science/article/pii/092420319180006A},
466 Volume = {1},
467 Year = {1991},
468 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/092420319180006A},
469 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0924-2031(91)80006-A}}
470
471 @incollection{Prost:1980wt,
472 Author = {Prost, J.},
473 Booktitle = {Liquid Crystals of One- and Two-Dimensional Order},
474 Date-Added = {2014-01-20 19:01:37 +0000},
475 Date-Modified = {2014-01-20 19:01:41 +0000},
476 Doi = {10.1007/978-3-642-67848-6_29},
477 Editor = {Helfrich, W. and Heppke, G.},
478 Isbn = {978-3-642-67850-9},
479 Language = {English},
480 Pages = {125-145},
481 Publisher = {Springer Berlin Heidelberg},
482 Series = {Springer Series in Chemical Physics},
483 Title = {Reflections on the Reentrant Nematic and the SA-SA Phase Transitions},
484 Url = {http://dx.doi.org/10.1007/978-3-642-67848-6_29},
485 Volume = {11},
486 Year = {1980},
487 Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-67848-6_29}}
488
489 @article{HARDOUIN:1983qf,
490 Author = {HARDOUIN, F and LEVELUT, AM and ACHARD, MF and SIGAUD, G},
491 Date-Added = {2014-01-20 18:56:21 +0000},
492 Date-Modified = {2014-01-20 18:56:21 +0000},
493 Issn = {{0021-7689}},
494 Journal = {{JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE}},
495 Number = {{1}},
496 Pages = {{53-64}},
497 Title = {{POLYMORPHISM IN POLAR MESOGENS .1. PHYSICO-CHEMISTRY AND STRUCTURAL ASPECTS}},
498 Unique-Id = {{ISI:A1983QJ60700008}},
499 Volume = {{80}},
500 Year = {{1983}}}
501
502 @article{Leadbetter:1976vf,
503 Author = {Leadbetter, A. J. and Durrant, J. L. A. and Rugman, M.},
504 Date-Added = {2014-01-20 18:54:50 +0000},
505 Date-Modified = {2014-01-20 18:54:54 +0000},
506 Doi = {10.1080/15421407708083712},
507 Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/15421407708083712},
508 Journal = {Molecular Crystals and Liquid Crystals},
509 Number = {10},
510 Pages = {231-235},
511 Title = {The Density Of 4 n-Octyl-4-Cyano-Biphenyl (8CB)},
512 Url = {http://www.tandfonline.com/doi/abs/10.1080/15421407708083712},
513 Volume = {34},
514 Year = {1976},
515 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/15421407708083712},
516 Bdsk-Url-2 = {http://dx.doi.org/10.1080/15421407708083712}}
517
518 @book{Gray:1984hc,
519 Author = {Gray, G.W. and Goodby, J.W.G.},
520 Date-Added = {2014-01-20 18:39:08 +0000},
521 Date-Modified = {2014-01-20 18:39:08 +0000},
522 Isbn = {9780249441680},
523 Lccn = {lc84164554},
524 Publisher = {L. Hill},
525 Title = {Smectic liquid crystals: textures and structures},
526 Url = {http://books.google.com/books?id=WgTwAAAAMAAJ},
527 Year = {1984},
528 Bdsk-Url-1 = {http://books.google.com/books?id=WgTwAAAAMAAJ}}
529
530 @article{Vanakaras:1998it,
531 Author = {Vanakaras, Alexandros G. and Photinos, Demetri J. and Samulski, Edward T.},
532 Date-Added = {2014-01-20 18:37:13 +0000},
533 Date-Modified = {2014-01-20 18:37:15 +0000},
534 Doi = {10.1103/PhysRevE.57.R4875},
535 Issue = {5},
536 Journal = {Phys. Rev. E},
537 Month = {May},
538 Numpages = {0},
539 Pages = {R4875--R4878},
540 Publisher = {American Physical Society},
541 Title = {Tilt, polarity, and spontaneous symmetry breaking in liquid crystals},
542 Url = {http://link.aps.org/doi/10.1103/PhysRevE.57.R4875},
543 Volume = {57},
544 Year = {1998},
545 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.57.R4875},
546 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.57.R4875}}
547
548 @article{Prost:1984qe,
549 Author = {Prost, J.},
550 Date-Added = {2014-01-20 18:36:25 +0000},
551 Date-Modified = {2014-01-20 18:36:29 +0000},
552 Doi = {10.1080/00018738400101631},
553 Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/00018738400101631},
554 Journal = {Advances in Physics},
555 Number = {1},
556 Pages = {1-46},
557 Title = {The smectic state},
558 Url = {http://www.tandfonline.com/doi/abs/10.1080/00018738400101631},
559 Volume = {33},
560 Year = {1984},
561 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/00018738400101631},
562 Bdsk-Url-2 = {http://dx.doi.org/10.1080/00018738400101631}}
563
564 @article{Photinos:1976xe,
565 Author = {Photinos, Panagoitis J. and Saupe, Alfred},
566 Date-Added = {2014-01-20 18:34:10 +0000},
567 Date-Modified = {2014-01-20 18:34:14 +0000},
568 Doi = {10.1103/PhysRevA.13.1926},
569 Issue = {5},
570 Journal = {Phys. Rev. A},
571 Month = {May},
572 Numpages = {0},
573 Pages = {1926--1930},
574 Publisher = {American Physical Society},
575 Title = {Mean-field study of uniaxial smectic liquid crystals with polarized layers},
576 Url = {http://link.aps.org/doi/10.1103/PhysRevA.13.1926},
577 Volume = {13},
578 Year = {1976},
579 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.13.1926},
580 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.13.1926}}
581
582 @article{Netz:1992cr,
583 Author = {Netz, Roland R. and Berker, A. Nihat},
584 Date-Added = {2014-01-20 18:33:40 +0000},
585 Date-Modified = {2014-01-20 18:33:43 +0000},
586 Doi = {10.1103/PhysRevLett.68.333},
587 Issue = {3},
588 Journal = {Phys. Rev. Lett.},
589 Month = {Jan},
590 Numpages = {0},
591 Pages = {333--336},
592 Publisher = {American Physical Society},
593 Title = {Smectic-<i>C</i> order, in-plane domains, and nematic reentrance in a microscopic model of liquid crystals},
594 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.68.333},
595 Volume = {68},
596 Year = {1992},
597 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.68.333},
598 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.68.333}}
599
600 @article{Meyer:1976qd,
601 Author = {Meyer, Robert B. and Lubensky, T. C.},
602 Date-Added = {2014-01-20 18:33:13 +0000},
603 Date-Modified = {2014-01-20 19:12:04 +0000},
604 Doi = {10.1103/PhysRevA.14.2307},
605 Issue = {6},
606 Journal = {Phys. Rev. A},
607 Month = {Dec},
608 Numpages = {0},
609 Pages = {2307--2320},
610 Publisher = {American Physical Society},
611 Title = {Mean-field theory of the nematic-smectic-A phase change in liquid crystals},
612 Url = {http://link.aps.org/doi/10.1103/PhysRevA.14.2307},
613 Volume = {14},
614 Year = {1976},
615 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.14.2307},
616 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.14.2307}}
617
618 @article{Levesque:1993pd,
619 Author = {Levesque, D. and Weis, J. J. and Zarragoicoechea, G. J.},
620 Date-Added = {2014-01-20 18:32:43 +0000},
621 Date-Modified = {2014-01-20 18:32:45 +0000},
622 Doi = {10.1103/PhysRevE.47.496},
623 Issue = {1},
624 Journal = {Phys. Rev. E},
625 Month = {Jan},
626 Numpages = {0},
627 Pages = {496--505},
628 Publisher = {American Physical Society},
629 Title = {Monte Carlo simulation study of mesophase formation in dipolar spherocylinders},
630 Url = {http://link.aps.org/doi/10.1103/PhysRevE.47.496},
631 Volume = {47},
632 Year = {1993},
633 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.47.496},
634 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.47.496}}
635
636 @article{Levelut:1981eu,
637 Author = {Levelut, A. M. and Tarento, R. J. and Hardouin, F. and Achard, M. F. and Sigaud, G.},
638 Date-Added = {2014-01-20 18:32:07 +0000},
639 Date-Modified = {2014-01-20 18:49:25 +0000},
640 Doi = {10.1103/PhysRevA.24.2180},
641 Issue = {4},
642 Journal = {Phys. Rev. A},
643 Month = {Oct},
644 Numpages = {0},
645 Pages = {2180--2186},
646 Publisher = {American Physical Society},
647 Title = {Number of SA phases},
648 Url = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
649 Volume = {24},
650 Year = {1981},
651 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
652 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.24.2180}}
653
654 @article{Jeu:1983ly,
655 Abstract = {The physical properties and the phase behaviour of some nematic liquid crystals are discussed, with emphasis on the influence of short-range antiparallel dipole correlation that occurs in mesogenic compounds with a strong terminal dipole moment. Evidence for this effect, which stems especially from dielectric studies, is summarized. Variations of the dipole correlation with molecular structure can explain the sometimes unexpected phase behaviour and physical properties of these substances. A qualitative model is given in terms of a monomer--dimer equilibrium.},
656 Author = {Jeu, W. H. De and Raynes, E. P. and Price, A. H. and Clark, M. G.},
657 Date-Added = {2014-01-20 18:30:36 +0000},
658 Date-Modified = {2014-01-20 18:30:39 +0000},
659 Doi = {10.1098/rsta.1983.0035},
660 Eprint = {http://rsta.royalsocietypublishing.org/content/309/1507/217.full.pdf+html},
661 Journal = {Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences},
662 Number = {1507},
663 Pages = {217-229},
664 Title = {Liquid Crystalline Materials: Physical Properties and Intermolecular Interactions [and Discussion]},
665 Url = {http://rsta.royalsocietypublishing.org/content/309/1507/217.abstract},
666 Volume = {309},
667 Year = {1983},
668 Bdsk-Url-1 = {http://rsta.royalsocietypublishing.org/content/309/1507/217.abstract},
669 Bdsk-Url-2 = {http://dx.doi.org/10.1098/rsta.1983.0035}}
670
671 @article{Indekeu:1986ty,
672 Author = {Indekeu, J. O. and Berker, A. Nihat},
673 Date-Added = {2014-01-20 18:27:51 +0000},
674 Date-Modified = {2014-01-20 18:50:31 +0000},
675 Doi = {10.1103/PhysRevA.33.1158},
676 Issue = {2},
677 Journal = {Phys. Rev. A},
678 Month = {Feb},
679 Numpages = {0},
680 Pages = {1158--1162},
681 Publisher = {American Physical Society},
682 Title = {Quadruple reentrance (nematic-smectic-Ad-nematic-smectic-Ad-nematic-smectic-A1) from the frustrated spin-gas model of liquid crystals},
683 Url = {http://link.aps.org/doi/10.1103/PhysRevA.33.1158},
684 Volume = {33},
685 Year = {1986},
686 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.33.1158},
687 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.33.1158}}
688
689 @incollection{Hardouin:1980yq,
690 Author = {Hardouin, F. and Levelut, A.M. and Benattar, J.J. and Sigaud, G.},
691 Booktitle = {Liquid Crystals of One- and Two-Dimensional Order},
692 Date-Added = {2014-01-20 18:26:57 +0000},
693 Date-Modified = {2014-01-20 18:26:59 +0000},
694 Doi = {10.1007/978-3-642-67848-6_31},
695 Editor = {Helfrich, W. and Heppke, G.},
696 Isbn = {978-3-642-67850-9},
697 Language = {English},
698 Pages = {147-147},
699 Publisher = {Springer Berlin Heidelberg},
700 Series = {Springer Series in Chemical Physics},
701 Title = {X-Ray Investigations of the Smectic A1 --- Smectic A2 Transition},
702 Url = {http://dx.doi.org/10.1007/978-3-642-67848-6_31},
703 Volume = {11},
704 Year = {1980},
705 Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-67848-6_31}}
706
707 @article{Dowell:1985qf,
708 Author = {Dowell, F.},
709 Date-Added = {2014-01-20 18:25:24 +0000},
710 Date-Modified = {2014-01-20 18:25:26 +0000},
711 Doi = {10.1103/PhysRevA.31.3214},
712 Issue = {5},
713 Journal = {Phys. Rev. A},
714 Month = {May},
715 Numpages = {0},
716 Pages = {3214--3219},
717 Publisher = {American Physical Society},
718 Title = {Effect of longitudinal dipoles in liquid crystals},
719 Url = {http://link.aps.org/doi/10.1103/PhysRevA.31.3214},
720 Volume = {31},
721 Year = {1985},
722 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.31.3214},
723 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.31.3214}}
724
725 @article{Baus:1989fk,
726 Author = {Baus, Marc and Colot, Jean-Louis},
727 Date-Added = {2014-01-20 18:24:36 +0000},
728 Date-Modified = {2014-01-20 18:24:39 +0000},
729 Doi = {10.1103/PhysRevA.40.5444},
730 Issue = {9},
731 Journal = {Phys. Rev. A},
732 Month = {Nov},
733 Numpages = {0},
734 Pages = {5444--5446},
735 Publisher = {American Physical Society},
736 Title = {Ferroelectric nematic liquid-crystal phases of dipolar hard ellipsoids},
737 Url = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
738 Volume = {40},
739 Year = {1989},
740 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
741 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.40.5444}}