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1 %% This BibTeX bibliography file was created using BibDesk.
2 %% http://bibdesk.sourceforge.net/
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5 %% Created for Dan Gezelter at 2014-02-21 13:37:01 -0500
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8 %% Saved with string encoding Unicode (UTF-8)
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10
11
12 @article{Berne:1972pb,
13 Author = {Berne, Bruce J. and Pechukas, Philip},
14 Date-Added = {2014-02-21 18:28:49 +0000},
15 Date-Modified = {2014-02-21 18:28:49 +0000},
16 Doi = {http://dx.doi.org/10.1063/1.1677837},
17 Journal = {The Journal of Chemical Physics},
18 Number = {8},
19 Pages = {4213-4216},
20 Title = {Gaussian Model Potentials for Molecular Interactions},
21 Url = {http://scitation.aip.org/content/aip/journal/jcp/56/8/10.1063/1.1677837},
22 Volume = {56},
23 Year = {1972},
24 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/56/8/10.1063/1.1677837},
25 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1677837}}
26
27 @article{Luckhurst:1990fy,
28 Author = {Luckhurst, G. R. and Stephens, R. A. and Phippen, R. W.},
29 Date-Added = {2014-02-21 18:27:10 +0000},
30 Date-Modified = {2014-02-21 18:27:10 +0000},
31 Doi = {10.1080/02678299008047361},
32 Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/02678299008047361},
33 Journal = {Liquid Crystals},
34 Number = {4},
35 Pages = {451-464},
36 Title = {Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogen},
37 Url = {http://www.tandfonline.com/doi/abs/10.1080/02678299008047361},
38 Volume = {8},
39 Year = {1990},
40 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/02678299008047361},
41 Bdsk-Url-2 = {http://dx.doi.org/10.1080/02678299008047361}}
42
43 @article{Auer:2007dp,
44 Abstract = {We present improvements on our previous approaches for calculating vibrational spectroscopy observables for the OH stretch region of dilute HOD in liquid D2O. These revised approaches are implemented to calculate IR and isotropic Raman spectra, using the SPC/E simulation model, and the results are in good agreement with experiment. We also calculate observables associated with three-pulse IR echoes: the peak shift and 2D-IR spectrum. The agreement with experiment for the former is improved over our previous calculations, but discrepancies between theory and experiment still exist. Using our proposed definition for hydrogen bonding in liquid water, we decompose the distribution of frequencies in the OH stretch region in terms of subensembles of HOD molecules with different local hydrogen-bonding environments. Such a decomposition allows us to make the connection with experiments and calculations on water clusters and more generally to understand the extent of the relationship between transition frequency and local structure in the liquid.},
45 Author = {Auer, B. and Kumar, R. and Schmidt, J. R. and Skinner, J. L.},
46 Date-Added = {2014-02-21 18:20:31 +0000},
47 Date-Modified = {2014-02-21 18:31:54 +0000},
48 Doi = {10.1073/pnas.0701482104},
49 Eprint = {http://www.pnas.org/content/104/36/14215.full.pdf+html},
50 Journal = {Proceedings of the National Academy of Sciences},
51 Number = {36},
52 Pages = {14215-14220},
53 Title = {Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute \ce{HOD} in liquid \ce{D2O}},
54 Url = {http://www.pnas.org/content/104/36/14215.abstract},
55 Volume = {104},
56 Year = {2007},
57 Bdsk-Url-1 = {http://www.pnas.org/content/104/36/14215.abstract},
58 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0701482104}}
59
60 @article{Corcelli:2004ai,
61 Author = {Corcelli, S. A. and Lawrence, C. P. and Skinner, J. L.},
62 Date-Added = {2014-02-21 18:18:50 +0000},
63 Date-Modified = {2014-02-21 18:32:22 +0000},
64 Doi = {http://dx.doi.org/10.1063/1.1683072},
65 Journal = {The Journal of Chemical Physics},
66 Number = {17},
67 Pages = {8107-8117},
68 Title = {Combined electronic structure/molecular dynamics approach for ultrafast infrared spectroscopy of dilute \ce{HOD} in liquid \ce{H2O} and \ce{D2O}},
69 Url = {http://scitation.aip.org/content/aip/journal/jcp/120/17/10.1063/1.1683072},
70 Volume = {120},
71 Year = {2004},
72 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/120/17/10.1063/1.1683072},
73 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1683072}}
74
75 @article{Morales:2009fp,
76 Author = {Morales, Christine M. and Thompson, Ward H.},
77 Date-Added = {2014-02-21 17:59:53 +0000},
78 Date-Modified = {2014-02-21 18:33:21 +0000},
79 Doi = {10.1021/jp8072969},
80 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8072969},
81 Journal = {The Journal of Physical Chemistry A},
82 Note = {PMID: 19061371},
83 Number = {10},
84 Pages = {1922-1933},
85 Title = {Simulations of Infrared Spectra of Nanoconfined Liquids: Acetonitrile Confined in Nanoscale, Hydrophilic Silica Pores},
86 Url = {http://pubs.acs.org/doi/abs/10.1021/jp8072969},
87 Volume = {113},
88 Year = {2009},
89 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp8072969},
90 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp8072969}}
91
92 @article{Bose:2012eu,
93 Author = {Bose, Tushar Kanti and Saha, Jayashree},
94 Date-Added = {2014-02-21 14:00:07 +0000},
95 Date-Modified = {2014-02-21 14:00:07 +0000},
96 Doi = {10.1103/PhysRevE.86.050701},
97 Issue = {5},
98 Journal = {Phys. Rev. E},
99 Month = {Nov},
100 Numpages = {4},
101 Pages = {050701},
102 Publisher = {American Physical Society},
103 Title = {Origin of tilted-phase generation in systems of ellipsoidal molecules with dipolar interactions},
104 Url = {http://link.aps.org/doi/10.1103/PhysRevE.86.050701},
105 Volume = {86},
106 Year = {2012},
107 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.86.050701},
108 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.86.050701}}
109
110 @article{FILLER:1964yg,
111 Abstract = {An interpolation formula is derived which gives an apodized spectrum as the convolution of the unapodized spectrum (sampled at suitable points) with the apodized apparatus function. This allows many apodizations to be applied to a single interferogram with the performance of only a single Fourier transformation. A further saving in computation effort is possible if the apodized apparatus function decays rapidly away from its center. Examples of such cases are presented, where the interferogram is weighted by a function which is a cosine series of only a few terms.},
112 Author = {A. S. Filler},
113 Date-Added = {2014-02-20 18:13:39 +0000},
114 Date-Modified = {2014-02-21 18:31:22 +0000},
115 Doi = {10.1364/JOSA.54.000762},
116 Journal = {J. Opt. Soc. Am.},
117 Month = {Jun},
118 Number = {6},
119 Pages = {762--764},
120 Publisher = {OSA},
121 Title = {Apodization and Interpolation in Fourier-Transform Spectroscopy},
122 Url = {http://www.opticsinfobase.org/abstract.cfm?URI=josa-54-6-762},
123 Volume = {54},
124 Year = {1964},
125 Bdsk-Url-1 = {http://www.opticsinfobase.org/abstract.cfm?URI=josa-54-6-762},
126 Bdsk-Url-2 = {http://dx.doi.org/10.1364/JOSA.54.000762}}
127
128 @article{Naylor:2007rm,
129 Abstract = {Apodizing functions are used in Fourier transform spectroscopy (FTS) to reduce the magnitude of the sidelobes in the instrumental line shape (ILS), which are a direct result of the finite maximum optical path difference in the measured interferogram. Three apodizing functions, which are considered optimal in the sense of producing the smallest loss in spectral resolution for a given reduction in the magnitude of the largest sidelobe, find frequent use in FTS \[J. Opt. Soc. Am.66, 259 (1976)\]. We extend this series to include optimal apodizing functions corresponding to increases in the width of the ILS ranging from factors of 1.1 to 2.0 compared with its unapodized value, and we compare the results with other commonly used apodizing functions.},
130 Author = {David A. Naylor and Margaret K. Tahic},
131 Date-Added = {2014-02-20 16:45:24 +0000},
132 Date-Modified = {2014-02-20 16:45:24 +0000},
133 Doi = {10.1364/JOSAA.24.003644},
134 Journal = {J. Opt. Soc. Am. A},
135 Keywords = {Linewidth; Spectroscopy, Fourier transforms},
136 Month = {Nov},
137 Number = {11},
138 Pages = {3644--3648},
139 Publisher = {OSA},
140 Title = {Apodizing functions for Fourier transform spectroscopy},
141 Url = {http://josaa.osa.org/abstract.cfm?URI=josaa-24-11-3644},
142 Volume = {24},
143 Year = {2007},
144 Bdsk-Url-1 = {http://josaa.osa.org/abstract.cfm?URI=josaa-24-11-3644},
145 Bdsk-Url-2 = {http://dx.doi.org/10.1364/JOSAA.24.003644}}
146
147 @article{Morse:1929xy,
148 Author = {Morse, Philip M.},
149 Date-Added = {2014-02-19 21:18:41 +0000},
150 Date-Modified = {2014-02-19 21:18:43 +0000},
151 Doi = {10.1103/PhysRev.34.57},
152 Issue = {1},
153 Journal = {Phys. Rev.},
154 Month = {Jul},
155 Numpages = {0},
156 Pages = {57--64},
157 Publisher = {American Physical Society},
158 Title = {Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels},
159 Url = {http://link.aps.org/doi/10.1103/PhysRev.34.57},
160 Volume = {34},
161 Year = {1929},
162 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRev.34.57},
163 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRev.34.57}}
164
165 @article{Lee:1988qf,
166 Author = {Lee, Chengteh and Yang, Weitao and Parr, Robert G.},
167 Date-Added = {2014-02-19 21:03:16 +0000},
168 Date-Modified = {2014-02-19 21:03:19 +0000},
169 Doi = {10.1103/PhysRevB.37.785},
170 Issue = {2},
171 Journal = {Phys. Rev. B},
172 Month = {Jan},
173 Numpages = {0},
174 Pages = {785--789},
175 Publisher = {American Physical Society},
176 Title = {Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density},
177 Url = {http://link.aps.org/doi/10.1103/PhysRevB.37.785},
178 Volume = {37},
179 Year = {1988},
180 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.37.785},
181 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.37.785}}
182
183 @article{Becke:1993kq,
184 Author = {Becke, Axel D.},
185 Date-Added = {2014-02-19 21:02:30 +0000},
186 Date-Modified = {2014-02-21 18:30:55 +0000},
187 Doi = {http://dx.doi.org/10.1063/1.464913},
188 Journal = {The Journal of Chemical Physics},
189 Number = {7},
190 Pages = {5648-5652},
191 Title = {Density-functional thermochemistry. III. The role of exact exchange},
192 Url = {http://scitation.aip.org/content/aip/journal/jcp/98/7/10.1063/1.464913},
193 Volume = {98},
194 Year = {1993},
195 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/98/7/10.1063/1.464913},
196 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.464913}}
197
198 @book{Collings:1997rz,
199 Author = {Collings, P.J. and Hird, M.},
200 Date-Added = {2014-02-18 21:05:20 +0000},
201 Date-Modified = {2014-02-18 21:05:20 +0000},
202 Isbn = {9780203211199},
203 Publisher = {Taylor \& Francis},
204 Series = {Liquid Crystals Book Series},
205 Title = {Introduction to Liquid Crystals: Chemistry and Physics},
206 Url = {http://books.google.com/books?id=GBeDkKpZ5VQC},
207 Year = {1997},
208 Bdsk-Url-1 = {http://books.google.com/books?id=GBeDkKpZ5VQC}}
209
210 @article{Cleaver:1996rt,
211 Author = {Cleaver, Douglas J. and Care, Christopher M. and Allen, Michael P. and Neal, Maureen P.},
212 Date-Added = {2014-02-18 21:01:40 +0000},
213 Date-Modified = {2014-02-18 21:01:42 +0000},
214 Doi = {10.1103/PhysRevE.54.559},
215 Issue = {1},
216 Journal = {Phys. Rev. E},
217 Month = {Jul},
218 Numpages = {0},
219 Pages = {559--567},
220 Publisher = {American Physical Society},
221 Title = {Extension and generalization of the Gay-Berne potential},
222 Url = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
223 Volume = {54},
224 Year = {1996},
225 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
226 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.54.559}}
227
228 @article{Kushick:1976xy,
229 Author = {Kushick, J. and Berne, Bruce J.},
230 Date-Added = {2014-02-18 21:00:21 +0000},
231 Date-Modified = {2014-02-18 21:00:21 +0000},
232 Doi = {http://dx.doi.org/10.1063/1.432403},
233 Journal = {The Journal of Chemical Physics},
234 Number = {4},
235 Pages = {1362-1367},
236 Title = {Computer simulation of anisotropic molecular fluids},
237 Url = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
238 Volume = {64},
239 Year = {1976},
240 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
241 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.432403}}
242
243 @article{Gay:1981yu,
244 Author = {Gay, J. G. and Berne, B. J.},
245 Date-Added = {2014-02-18 20:57:16 +0000},
246 Date-Modified = {2014-02-18 20:57:16 +0000},
247 Doi = {http://dx.doi.org/10.1063/1.441483},
248 Journal = {The Journal of Chemical Physics},
249 Number = {6},
250 Pages = {3316-3319},
251 Title = {Modification of the overlap potential to mimic a linear site--site potential},
252 Url = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
253 Volume = {74},
254 Year = {1981},
255 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
256 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.441483}}
257
258 @article{Choi:2008cr,
259 Author = {Choi, Jun-Ho and Oh, Kwang-Im and Lee, Hochan and Lee, Chewook and Cho, Minhaeng},
260 Date-Added = {2014-02-18 18:20:28 +0000},
261 Date-Modified = {2014-02-21 18:34:13 +0000},
262 Doi = {http://dx.doi.org/10.1063/1.2844787},
263 Eid = 134506,
264 Journal = {The Journal of Chemical Physics},
265 Number = {13},
266 Pages = {134506},
267 Title = {Nitrile and thiocyanate IR probes: Quantum chemistry calculation studies and multivariate least-square fitting analysis},
268 Url = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
269 Volume = {128},
270 Year = {2008},
271 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
272 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2844787}}
273
274 @article{Fafarman:2010dq,
275 Author = {Fafarman, Aaron T. and Sigala, Paul A. and Herschlag, Daniel and Boxer, Steven G.},
276 Date-Added = {2014-02-18 18:13:20 +0000},
277 Date-Modified = {2014-02-18 18:13:20 +0000},
278 Doi = {10.1021/ja104573b},
279 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja104573b},
280 Journal = {Journal of the American Chemical Society},
281 Number = {37},
282 Pages = {12811-12813},
283 Title = {Decomposition of Vibrational Shifts of Nitriles into Electrostatic and Hydrogen-Bonding Effects},
284 Url = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
285 Volume = {132},
286 Year = {2010},
287 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
288 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja104573b}}
289
290 @article{Lindquist:2008bh,
291 Author = {Lindquist, Beth A. and Haws, Ryan T. and Corcelli, Steven A.},
292 Date-Added = {2014-02-18 16:27:15 +0000},
293 Date-Modified = {2014-02-18 16:27:15 +0000},
294 Doi = {10.1021/jp804900u},
295 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804900u},
296 Journal = {The Journal of Physical Chemistry B},
297 Note = {PMID: 18855431},
298 Number = {44},
299 Pages = {13991-14001},
300 Title = {Optimized Quantum Mechanics/Molecular Mechanics Strategies for Nitrile Vibrational Probes: Acetonitrile and para-Tolunitrile in Water and Tetrahydrofuran},
301 Url = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
302 Volume = {112},
303 Year = {2008},
304 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
305 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804900u}}
306
307 @article{Lindquist:2008qf,
308 Author = {Lindquist, Beth A. and Corcelli, Steven A.},
309 Date-Added = {2014-02-18 16:26:29 +0000},
310 Date-Modified = {2014-02-21 18:05:15 +0000},
311 Doi = {10.1021/jp802039e},
312 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp802039e},
313 Journal = {The Journal of Physical Chemistry B},
314 Note = {PMID: 18438998},
315 Number = {20},
316 Pages = {6301-6303},
317 Title = {Nitrile Groups as Vibrational Probes: Calculations of the CN Infrared Absorption Line Shape of Acetonitrile in Water and Tetrahydrofuran},
318 Url = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
319 Volume = {112},
320 Year = {2008},
321 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
322 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp802039e}}
323
324 @article{Waegele:2010ve,
325 Author = {Waegele, Matthias M. and Gai, Feng},
326 Date-Added = {2014-02-18 16:24:37 +0000},
327 Date-Modified = {2014-02-18 16:24:37 +0000},
328 Doi = {10.1021/jz900429z},
329 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jz900429z},
330 Journal = {The Journal of Physical Chemistry Letters},
331 Number = {4},
332 Pages = {781-786},
333 Title = {Computational Modeling of the Nitrile Stretching Vibration of 5-Cyanoindole in Water},
334 Url = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
335 Volume = {1},
336 Year = {2010},
337 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
338 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jz900429z}}
339
340 @article{Leyte:1997zl,
341 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.},
342 Author = {J. C. Leyte and P. C. M. Van Woerkom},
343 Date-Added = {2014-02-18 16:19:03 +0000},
344 Date-Modified = {2014-02-21 18:35:10 +0000},
345 Journal = {Appl. Spectrosc.},
346 Month = {Nov},
347 Number = {11},
348 Pages = {1711--1714},
349 Publisher = {OSA},
350 Title = {FT-IR TRS of Liquid Crystalline 5CB in AC, DC, and AC $+$ DC Electric Fields},
351 Url = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711},
352 Volume = {51},
353 Year = {1997},
354 Bdsk-Url-1 = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711}}
355
356 @article{Moreno-Razo:2012rz,
357 Annote = {10.1038/nature11084},
358 Author = {Moreno-Razo, J. A. and Sambriski, E. J. and Abbott, N. L. and Hernandez-Ortiz, J. P. and de Pablo, J. J.},
359 Date = {2012/05/03/print},
360 Date-Added = {2014-02-18 16:07:15 +0000},
361 Date-Modified = {2014-02-18 16:07:15 +0000},
362 Day = {03},
363 Isbn = {0028-0836},
364 Journal = {Nature},
365 L3 = {http://www.nature.com/nature/journal/v485/n7396/abs/nature11084.html#supplementary-information},
366 M3 = {10.1038/nature11084},
367 Month = {05},
368 Number = {7396},
369 Pages = {86--89},
370 Publisher = {Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.},
371 Title = {Liquid-crystal-mediated self-assembly at nanodroplet interfaces},
372 Ty = {JOUR},
373 Url = {http://dx.doi.org/10.1038/nature11084},
374 Volume = {485},
375 Year = {2012},
376 Bdsk-Url-1 = {http://dx.doi.org/10.1038/nature11084}}
377
378 @article{Schkolnik:2012ty,
379 Author = {Schkolnik, Gal and Salewski, Johannes and Millo, Diego and Zebger, Ingo and Franzen, Stefan and Hildebrandt, Peter},
380 Date-Added = {2014-02-18 15:43:30 +0000},
381 Date-Modified = {2014-02-18 15:43:30 +0000},
382 Doi = {10.3390/ijms13067466},
383 Issn = {1422-0067},
384 Journal = {International Journal of Molecular Sciences},
385 Number = {6},
386 Pages = {7466--7482},
387 Pubmedid = {22837705},
388 Title = {Vibrational Stark Effect of the Electric-Field Reporter 4-Mercaptobenzonitrile as a Tool for Investigating Electrostatics at Electrode/SAM/Solution Interfaces},
389 Url = {http://www.mdpi.com/1422-0067/13/6/7466},
390 Volume = {13},
391 Year = {2012},
392 Bdsk-Url-1 = {http://www.mdpi.com/1422-0067/13/6/7466},
393 Bdsk-Url-2 = {http://dx.doi.org/10.3390/ijms13067466}}
394
395 @article{Andrews:2000qv,
396 Author = {Andrews, Steven S. and Boxer, Steven G.},
397 Date-Added = {2014-02-18 15:39:01 +0000},
398 Date-Modified = {2014-02-18 15:39:01 +0000},
399 Doi = {10.1021/jp002242r},
400 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp002242r},
401 Journal = {The Journal of Physical Chemistry A},
402 Number = {51},
403 Pages = {11853-11863},
404 Title = {Vibrational Stark Effects of Nitriles I. Methods and Experimental Results},
405 Url = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
406 Volume = {104},
407 Year = {2000},
408 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
409 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp002242r}}
410
411 @article{Oklejas:2002uq,
412 Author = {Oklejas, Vanessa and Sjostrom, Chris and Harris, Joel M.},
413 Date-Added = {2014-02-18 15:24:01 +0000},
414 Date-Modified = {2014-02-18 15:24:01 +0000},
415 Doi = {10.1021/ja017656s},
416 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja017656s},
417 Journal = {Journal of the American Chemical Society},
418 Number = {11},
419 Pages = {2408-2409},
420 Title = {SERS Detection of the Vibrational Stark Effect from Nitrile-Terminated SAMs to Probe Electric Fields in the Diffuse Double-Layer},
421 Url = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
422 Volume = {124},
423 Year = {2002},
424 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
425 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja017656s}}
426
427 @article{Lindquist:2009fk,
428 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.},
429 Author = {Lindquist, Beth A. and Furse, Kristina E. and Corcelli, Steven A.},
430 Date-Added = {2014-02-18 15:16:38 +0000},
431 Date-Modified = {2014-02-18 15:16:38 +0000},
432 Doi = {10.1039/B908588B},
433 Issue = {37},
434 Journal = {Phys. Chem. Chem. Phys.},
435 Pages = {8119-8132},
436 Publisher = {The Royal Society of Chemistry},
437 Title = {Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview},
438 Url = {http://dx.doi.org/10.1039/B908588B},
439 Volume = {11},
440 Year = {2009},
441 Bdsk-Url-1 = {http://dx.doi.org/10.1039/B908588B}}
442
443 @article{Meineke05,
444 Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
445 Date-Added = {2014-02-14 19:21:43 +0000},
446 Date-Modified = {2014-02-14 19:21:43 +0000},
447 Journal = {J. Comp. Chem.},
448 Pages = {252-271},
449 Title = {$\mbox{OOPSE: A}$n Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
450 Volume = 26,
451 Year = 2005}
452
453 @article{Fennell:2006zl,
454 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.},
455 Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
456 Author = {Fennell, Christopher~J. and Gezelter, J.~Daniel},
457 Date = {JUN 21 2006},
458 Date-Added = {2014-02-14 19:21:36 +0000},
459 Date-Modified = {2014-02-14 19:21:36 +0000},
460 Doi = {ARTN 234104},
461 Journal = jcp,
462 Publisher = {AMER INST PHYSICS},
463 Timescited = {15},
464 Title = {Is the {E}wald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
465 Volume = {124},
466 Year = {2006},
467 Bdsk-Url-1 = {http://dx.doi.org/234104}}
468
469 @article{PhysRevLett.111.227801,
470 Author = {Whitmer, Jonathan K. and Wang, Xiaoguang and Mondiot, Frederic and Miller, Daniel S. and Abbott, Nicholas L. and de Pablo, Juan J.},
471 Date-Added = {2014-02-06 20:01:25 +0000},
472 Date-Modified = {2014-02-06 20:01:25 +0000},
473 Doi = {10.1103/PhysRevLett.111.227801},
474 Issue = {22},
475 Journal = {Phys. Rev. Lett.},
476 Month = {Nov},
477 Numpages = {5},
478 Pages = {227801},
479 Publisher = {American Physical Society},
480 Title = {Nematic-Field-Driven Positioning of Particles in Liquid Crystal Droplets},
481 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.111.227801},
482 Volume = {111},
483 Year = {2013},
484 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.111.227801},
485 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.111.227801}}
486
487 @article{Oh:2008fk,
488 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.},
489 Author = {Oh, Kwang-Im and Choi, Jun-Ho and Lee, Joo-Hyun and Han, Jae-Beom and Lee, Hochan and Cho, Minhaeng},
490 Date-Added = {2014-02-06 18:11:52 +0000},
491 Date-Modified = {2014-02-06 18:11:52 +0000},
492 Doi = {10.1063/1.2904558},
493 Journal = {J Chem Phys},
494 Journal-Full = {The Journal of chemical physics},
495 Month = {Apr},
496 Number = {15},
497 Pages = {154504},
498 Pmid = {18433232},
499 Pst = {ppublish},
500 Title = {Nitrile and thiocyanate IR probes: molecular dynamics simulation studies},
501 Volume = {128},
502 Year = {2008},
503 Bdsk-File-1 = {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}}
504
505 @article{Gray:1973ca,
506 Author = {Gray, G.W. and Harrison, K.J. and Nash, J.A.},
507 Date-Added = {2014-01-20 19:18:33 +0000},
508 Date-Modified = {2014-01-20 19:18:35 +0000},
509 Doi = {10.1049/el:19730096},
510 Issn = {0013-5194},
511 Journal = {Electronics Letters},
512 Keywords = {display systems;electro-optical effects;liquid crystals;displays;nematic liquid crystals;positive dielectric anisotropy},
513 Number = {6},
514 Pages = {130-131},
515 Title = {New family of nematic liquid crystals for displays},
516 Volume = {9},
517 Year = {1973},
518 Bdsk-Url-1 = {http://dx.doi.org/10.1049/el:19730096}}
519
520 @article{Lee:2006qd,
521 Author = {Lee, Lay Min and Kwon, Hye J. and Kang, Joo H. and Nuzzo, Ralph G. and Schweizer, Kenneth S.},
522 Date-Added = {2014-01-20 19:14:33 +0000},
523 Date-Modified = {2014-01-20 19:39:28 +0000},
524 Doi = {http://dx.doi.org/10.1063/1.2210930},
525 Eid = 024705,
526 Journal = {The Journal of Chemical Physics},
527 Number = {2},
528 Pages = {024705},
529 Title = {Anchoring and electro-optical dynamics of thin liquid crystalline films in a polyimide cell: Experiment and theory},
530 Url = {http://scitation.aip.org/content/aip/journal/jcp/125/2/10.1063/1.2210930},
531 Volume = {125},
532 Year = {2006},
533 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/125/2/10.1063/1.2210930},
534 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2210930}}
535
536 @article{Zhang:2011hh,
537 Author = {Zhang, Jianguo and Su, Jiaye and Guo, Hongxia},
538 Date-Added = {2014-01-20 19:13:11 +0000},
539 Date-Modified = {2014-01-20 19:39:44 +0000},
540 Doi = {10.1021/jp111408n},
541 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp111408n},
542 Journal = {The Journal of Physical Chemistry B},
543 Number = {10},
544 Pages = {2214-2227},
545 Title = {An Atomistic Simulation for 4-Cyano-4$^\prime$-pentylbiphenyl and Its Homologue with a Reoptimized Force Field},
546 Url = {http://pubs.acs.org/doi/abs/10.1021/jp111408n},
547 Volume = {115},
548 Year = {2011},
549 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp111408n},
550 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp111408n}}
551
552 @article{Lim:2006xq,
553 Author = {Jong Kuk Lim and Ohyun Kwon and Dae Seung Kang and Sang-Woo Joo},
554 Date-Added = {2014-01-20 19:11:44 +0000},
555 Date-Modified = {2014-01-20 19:38:40 +0000},
556 Doi = {http://dx.doi.org/10.1016/j.cplett.2006.03.055},
557 Issn = {0009-2614},
558 Journal = {Chemical Physics Letters},
559 Number = {1--3},
560 Pages = {178 - 182},
561 Title = {Raman spectroscopy study and density functional theory calculations of the nematic liquid crystal 4-n-pentyl-4$^\prime$-cyanobiphenyl under an electric field},
562 Url = {http://www.sciencedirect.com/science/article/pii/S0009261406003873},
563 Volume = {423},
564 Year = {2006},
565 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261406003873},
566 Bdsk-Url-2 = {http://dx.doi.org/10.1016/j.cplett.2006.03.055}}
567
568 @article{Tucker:2004qq,
569 Author = {Tucker, Matthew J. and Getahun, Zelleka and Nanda, Vikas and DeGrado, William F. and Gai, Feng},
570 Date-Added = {2014-01-20 19:10:42 +0000},
571 Date-Modified = {2014-01-20 19:10:45 +0000},
572 Doi = {10.1021/ja032015d},
573 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja032015d},
574 Journal = {Journal of the American Chemical Society},
575 Number = {16},
576 Pages = {5078-5079},
577 Title = {A New Method for Determining the Local Environment and Orientation of Individual Side Chains of Membrane-Binding Peptides},
578 Url = {http://pubs.acs.org/doi/abs/10.1021/ja032015d},
579 Volume = {126},
580 Year = {2004},
581 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja032015d},
582 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja032015d}}
583
584 @article{Webb:2008kn,
585 Author = {Webb, Lauren J. and Boxer, Steven G.},
586 Date-Added = {2014-01-20 19:09:37 +0000},
587 Date-Modified = {2014-01-20 19:38:19 +0000},
588 Doi = {10.1021/bi701708u},
589 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/bi701708u},
590 Journal = {Biochemistry},
591 Note = {PMID: 18205401},
592 Number = {6},
593 Pages = {1588-1598},
594 Title = {Electrostatic Fields Near the Active Site of Human Aldose Reductase: 1. New Inhibitors and Vibrational Stark Effect Measurements},
595 Url = {http://pubs.acs.org/doi/abs/10.1021/bi701708u},
596 Volume = {47},
597 Year = {2008},
598 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/bi701708u},
599 Bdsk-Url-2 = {http://dx.doi.org/10.1021/bi701708u}}
600
601 @article{Boxer:2009xw,
602 Author = {Boxer, Steven G.},
603 Date-Added = {2014-01-20 19:07:47 +0000},
604 Date-Modified = {2014-01-20 19:37:48 +0000},
605 Doi = {10.1021/jp8067393},
606 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8067393},
607 Journal = {The Journal of Physical Chemistry B},
608 Number = {10},
609 Pages = {2972-2983},
610 Title = {Stark Realities},
611 Url = {http://pubs.acs.org/doi/abs/10.1021/jp8067393},
612 Volume = {113},
613 Year = {2009},
614 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp8067393},
615 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp8067393}}
616
617 @article{Hatta:1991ee,
618 Author = {A. Hatta and H. Amano and W. Su{\"e}taka},
619 Date-Added = {2014-01-20 19:05:00 +0000},
620 Date-Modified = {2014-01-20 19:05:03 +0000},
621 Doi = {http://dx.doi.org/10.1016/0924-2031(91)80006-A},
622 Issn = {0924-2031},
623 Journal = {Vibrational Spectroscopy},
624 Keywords = {Liquid crystals},
625 Number = {4},
626 Pages = {371 - 376},
627 Title = {Electric field response of 5CB liquid crystal molecules in the electrode boundary region as probed by modulation infrared \{ATR\} spectroscopy},
628 Url = {http://www.sciencedirect.com/science/article/pii/092420319180006A},
629 Volume = {1},
630 Year = {1991},
631 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/092420319180006A},
632 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0924-2031(91)80006-A}}
633
634 @incollection{Prost:1980wt,
635 Author = {Prost, J.},
636 Booktitle = {Liquid Crystals of One- and Two-Dimensional Order},
637 Date-Added = {2014-01-20 19:01:37 +0000},
638 Date-Modified = {2014-01-20 19:01:41 +0000},
639 Doi = {10.1007/978-3-642-67848-6_29},
640 Editor = {Helfrich, W. and Heppke, G.},
641 Isbn = {978-3-642-67850-9},
642 Language = {English},
643 Pages = {125-145},
644 Publisher = {Springer Berlin Heidelberg},
645 Series = {Springer Series in Chemical Physics},
646 Title = {Reflections on the Reentrant Nematic and the SA-SA Phase Transitions},
647 Url = {http://dx.doi.org/10.1007/978-3-642-67848-6_29},
648 Volume = {11},
649 Year = {1980},
650 Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-67848-6_29}}
651
652 @article{HARDOUIN:1983qf,
653 Author = {HARDOUIN, F and LEVELUT, AM and ACHARD, MF and SIGAUD, G},
654 Date-Added = {2014-01-20 18:56:21 +0000},
655 Date-Modified = {2014-01-20 18:56:21 +0000},
656 Issn = {{0021-7689}},
657 Journal = {{JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE}},
658 Number = {{1}},
659 Pages = {{53-64}},
660 Title = {{POLYMORPHISM IN POLAR MESOGENS .1. PHYSICO-CHEMISTRY AND STRUCTURAL ASPECTS}},
661 Unique-Id = {{ISI:A1983QJ60700008}},
662 Volume = {{80}},
663 Year = {{1983}}}
664
665 @article{Leadbetter:1976vf,
666 Author = {Leadbetter, A. J. and Durrant, J. L. A. and Rugman, M.},
667 Date-Added = {2014-01-20 18:54:50 +0000},
668 Date-Modified = {2014-01-20 18:54:54 +0000},
669 Doi = {10.1080/15421407708083712},
670 Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/15421407708083712},
671 Journal = {Molecular Crystals and Liquid Crystals},
672 Number = {10},
673 Pages = {231-235},
674 Title = {The Density Of 4 n-Octyl-4-Cyano-Biphenyl (8CB)},
675 Url = {http://www.tandfonline.com/doi/abs/10.1080/15421407708083712},
676 Volume = {34},
677 Year = {1976},
678 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/15421407708083712},
679 Bdsk-Url-2 = {http://dx.doi.org/10.1080/15421407708083712}}
680
681 @book{Gray:1984hc,
682 Author = {Gray, G.W. and Goodby, J.W.G.},
683 Date-Added = {2014-01-20 18:39:08 +0000},
684 Date-Modified = {2014-01-20 18:39:08 +0000},
685 Isbn = {9780249441680},
686 Lccn = {lc84164554},
687 Publisher = {L. Hill},
688 Title = {Smectic liquid crystals: textures and structures},
689 Url = {http://books.google.com/books?id=WgTwAAAAMAAJ},
690 Year = {1984},
691 Bdsk-Url-1 = {http://books.google.com/books?id=WgTwAAAAMAAJ}}
692
693 @article{Vanakaras:1998it,
694 Author = {Vanakaras, Alexandros G. and Photinos, Demetri J. and Samulski, Edward T.},
695 Date-Added = {2014-01-20 18:37:13 +0000},
696 Date-Modified = {2014-01-20 18:37:15 +0000},
697 Doi = {10.1103/PhysRevE.57.R4875},
698 Issue = {5},
699 Journal = {Phys. Rev. E},
700 Month = {May},
701 Numpages = {0},
702 Pages = {R4875--R4878},
703 Publisher = {American Physical Society},
704 Title = {Tilt, polarity, and spontaneous symmetry breaking in liquid crystals},
705 Url = {http://link.aps.org/doi/10.1103/PhysRevE.57.R4875},
706 Volume = {57},
707 Year = {1998},
708 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.57.R4875},
709 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.57.R4875}}
710
711 @article{Prost:1984qe,
712 Author = {Prost, J.},
713 Date-Added = {2014-01-20 18:36:25 +0000},
714 Date-Modified = {2014-01-20 18:36:29 +0000},
715 Doi = {10.1080/00018738400101631},
716 Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/00018738400101631},
717 Journal = {Advances in Physics},
718 Number = {1},
719 Pages = {1-46},
720 Title = {The smectic state},
721 Url = {http://www.tandfonline.com/doi/abs/10.1080/00018738400101631},
722 Volume = {33},
723 Year = {1984},
724 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/00018738400101631},
725 Bdsk-Url-2 = {http://dx.doi.org/10.1080/00018738400101631}}
726
727 @article{Photinos:1976xe,
728 Author = {Photinos, Panagoitis J. and Saupe, Alfred},
729 Date-Added = {2014-01-20 18:34:10 +0000},
730 Date-Modified = {2014-01-20 18:34:14 +0000},
731 Doi = {10.1103/PhysRevA.13.1926},
732 Issue = {5},
733 Journal = {Phys. Rev. A},
734 Month = {May},
735 Numpages = {0},
736 Pages = {1926--1930},
737 Publisher = {American Physical Society},
738 Title = {Mean-field study of uniaxial smectic liquid crystals with polarized layers},
739 Url = {http://link.aps.org/doi/10.1103/PhysRevA.13.1926},
740 Volume = {13},
741 Year = {1976},
742 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.13.1926},
743 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.13.1926}}
744
745 @article{Netz:1992cr,
746 Author = {Netz, Roland R. and Berker, A. Nihat},
747 Date-Added = {2014-01-20 18:33:40 +0000},
748 Date-Modified = {2014-01-20 18:33:43 +0000},
749 Doi = {10.1103/PhysRevLett.68.333},
750 Issue = {3},
751 Journal = {Phys. Rev. Lett.},
752 Month = {Jan},
753 Numpages = {0},
754 Pages = {333--336},
755 Publisher = {American Physical Society},
756 Title = {Smectic-<i>C</i> order, in-plane domains, and nematic reentrance in a microscopic model of liquid crystals},
757 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.68.333},
758 Volume = {68},
759 Year = {1992},
760 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.68.333},
761 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.68.333}}
762
763 @article{Meyer:1976qd,
764 Author = {Meyer, Robert B. and Lubensky, T. C.},
765 Date-Added = {2014-01-20 18:33:13 +0000},
766 Date-Modified = {2014-01-20 19:12:04 +0000},
767 Doi = {10.1103/PhysRevA.14.2307},
768 Issue = {6},
769 Journal = {Phys. Rev. A},
770 Month = {Dec},
771 Numpages = {0},
772 Pages = {2307--2320},
773 Publisher = {American Physical Society},
774 Title = {Mean-field theory of the nematic-smectic-A phase change in liquid crystals},
775 Url = {http://link.aps.org/doi/10.1103/PhysRevA.14.2307},
776 Volume = {14},
777 Year = {1976},
778 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.14.2307},
779 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.14.2307}}
780
781 @article{Levesque:1993pd,
782 Author = {Levesque, D. and Weis, J. J. and Zarragoicoechea, G. J.},
783 Date-Added = {2014-01-20 18:32:43 +0000},
784 Date-Modified = {2014-01-20 18:32:45 +0000},
785 Doi = {10.1103/PhysRevE.47.496},
786 Issue = {1},
787 Journal = {Phys. Rev. E},
788 Month = {Jan},
789 Numpages = {0},
790 Pages = {496--505},
791 Publisher = {American Physical Society},
792 Title = {Monte Carlo simulation study of mesophase formation in dipolar spherocylinders},
793 Url = {http://link.aps.org/doi/10.1103/PhysRevE.47.496},
794 Volume = {47},
795 Year = {1993},
796 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.47.496},
797 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.47.496}}
798
799 @article{Levelut:1981eu,
800 Author = {Levelut, A. M. and Tarento, R. J. and Hardouin, F. and Achard, M. F. and Sigaud, G.},
801 Date-Added = {2014-01-20 18:32:07 +0000},
802 Date-Modified = {2014-02-21 18:30:08 +0000},
803 Doi = {10.1103/PhysRevA.24.2180},
804 Issue = {4},
805 Journal = {Phys. Rev. A},
806 Month = {Oct},
807 Numpages = {0},
808 Pages = {2180--2186},
809 Publisher = {American Physical Society},
810 Title = {Number of $S_A$ phases},
811 Url = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
812 Volume = {24},
813 Year = {1981},
814 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
815 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.24.2180}}
816
817 @article{Jeu:1983ly,
818 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.},
819 Author = {Jeu, W. H. De and Raynes, E. P. and Price, A. H. and Clark, M. G.},
820 Date-Added = {2014-01-20 18:30:36 +0000},
821 Date-Modified = {2014-01-20 18:30:39 +0000},
822 Doi = {10.1098/rsta.1983.0035},
823 Eprint = {http://rsta.royalsocietypublishing.org/content/309/1507/217.full.pdf+html},
824 Journal = {Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences},
825 Number = {1507},
826 Pages = {217-229},
827 Title = {Liquid Crystalline Materials: Physical Properties and Intermolecular Interactions [and Discussion]},
828 Url = {http://rsta.royalsocietypublishing.org/content/309/1507/217.abstract},
829 Volume = {309},
830 Year = {1983},
831 Bdsk-Url-1 = {http://rsta.royalsocietypublishing.org/content/309/1507/217.abstract},
832 Bdsk-Url-2 = {http://dx.doi.org/10.1098/rsta.1983.0035}}
833
834 @article{Indekeu:1986ty,
835 Author = {Indekeu, J. O. and Berker, A. Nihat},
836 Date-Added = {2014-01-20 18:27:51 +0000},
837 Date-Modified = {2014-01-20 18:50:31 +0000},
838 Doi = {10.1103/PhysRevA.33.1158},
839 Issue = {2},
840 Journal = {Phys. Rev. A},
841 Month = {Feb},
842 Numpages = {0},
843 Pages = {1158--1162},
844 Publisher = {American Physical Society},
845 Title = {Quadruple reentrance (nematic-smectic-Ad-nematic-smectic-Ad-nematic-smectic-A1) from the frustrated spin-gas model of liquid crystals},
846 Url = {http://link.aps.org/doi/10.1103/PhysRevA.33.1158},
847 Volume = {33},
848 Year = {1986},
849 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.33.1158},
850 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.33.1158}}
851
852 @incollection{Hardouin:1980yq,
853 Author = {Hardouin, F. and Levelut, A.M. and Benattar, J.J. and Sigaud, G.},
854 Booktitle = {Liquid Crystals of One- and Two-Dimensional Order},
855 Date-Added = {2014-01-20 18:26:57 +0000},
856 Date-Modified = {2014-01-20 18:26:59 +0000},
857 Doi = {10.1007/978-3-642-67848-6_31},
858 Editor = {Helfrich, W. and Heppke, G.},
859 Isbn = {978-3-642-67850-9},
860 Language = {English},
861 Pages = {147-147},
862 Publisher = {Springer Berlin Heidelberg},
863 Series = {Springer Series in Chemical Physics},
864 Title = {X-Ray Investigations of the Smectic A1 --- Smectic A2 Transition},
865 Url = {http://dx.doi.org/10.1007/978-3-642-67848-6_31},
866 Volume = {11},
867 Year = {1980},
868 Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-67848-6_31}}
869
870 @article{Dowell:1985qf,
871 Author = {Dowell, F.},
872 Date-Added = {2014-01-20 18:25:24 +0000},
873 Date-Modified = {2014-01-20 18:25:26 +0000},
874 Doi = {10.1103/PhysRevA.31.3214},
875 Issue = {5},
876 Journal = {Phys. Rev. A},
877 Month = {May},
878 Numpages = {0},
879 Pages = {3214--3219},
880 Publisher = {American Physical Society},
881 Title = {Effect of longitudinal dipoles in liquid crystals},
882 Url = {http://link.aps.org/doi/10.1103/PhysRevA.31.3214},
883 Volume = {31},
884 Year = {1985},
885 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.31.3214},
886 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.31.3214}}
887
888 @article{Baus:1989fk,
889 Author = {Baus, Marc and Colot, Jean-Louis},
890 Date-Added = {2014-01-20 18:24:36 +0000},
891 Date-Modified = {2014-01-20 18:24:39 +0000},
892 Doi = {10.1103/PhysRevA.40.5444},
893 Issue = {9},
894 Journal = {Phys. Rev. A},
895 Month = {Nov},
896 Numpages = {0},
897 Pages = {5444--5446},
898 Publisher = {American Physical Society},
899 Title = {Ferroelectric nematic liquid-crystal phases of dipolar hard ellipsoids},
900 Url = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
901 Volume = {40},
902 Year = {1989},
903 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
904 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.40.5444}}