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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 James Marr at 2014-02-27 14:25:31 -0500
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8 %% Saved with string encoding Unicode (UTF-8)
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10
11
12 @article{Kojima19881789,
13 Author = {Hiroyuki Kojima and Yasushi Takagi and Hiroki Teramoto},
14 Date-Added = {2014-02-27 19:25:16 +0000},
15 Date-Modified = {2014-02-27 19:25:16 +0000},
16 Doi = {http://dx.doi.org/10.1016/0013-4686(88)85016-3},
17 Issn = {0013-4686},
18 Journal = {Electrochimica Acta},
19 Number = {12},
20 Pages = {1789 - 1793},
21 Title = {Electrochemiluminescence in liquid crystals},
22 Url = {http://www.sciencedirect.com/science/article/pii/0013468688850163},
23 Volume = {33},
24 Year = {1988},
25 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0013468688850163},
26 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0013-4686(88)85016-3}}
27
28 @article{Berne:1972pb,
29 Author = {Berne, Bruce J. and Pechukas, Philip},
30 Date-Added = {2014-02-21 18:28:49 +0000},
31 Date-Modified = {2014-02-21 18:28:49 +0000},
32 Doi = {http://dx.doi.org/10.1063/1.1677837},
33 Journal = {The Journal of Chemical Physics},
34 Number = {8},
35 Pages = {4213-4216},
36 Title = {Gaussian Model Potentials for Molecular Interactions},
37 Url = {http://scitation.aip.org/content/aip/journal/jcp/56/8/10.1063/1.1677837},
38 Volume = {56},
39 Year = {1972},
40 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/56/8/10.1063/1.1677837},
41 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1677837}}
42
43 @article{Luckhurst:1990fy,
44 Author = {Luckhurst, G. R. and Stephens, R. A. and Phippen, R. W.},
45 Date-Added = {2014-02-21 18:27:10 +0000},
46 Date-Modified = {2014-02-21 18:27:10 +0000},
47 Doi = {10.1080/02678299008047361},
48 Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/02678299008047361},
49 Journal = {Liquid Crystals},
50 Number = {4},
51 Pages = {451-464},
52 Title = {Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogen},
53 Url = {http://www.tandfonline.com/doi/abs/10.1080/02678299008047361},
54 Volume = {8},
55 Year = {1990},
56 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/02678299008047361},
57 Bdsk-Url-2 = {http://dx.doi.org/10.1080/02678299008047361}}
58
59 @article{Auer:2007dp,
60 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.},
61 Author = {Auer, B. and Kumar, R. and Schmidt, J. R. and Skinner, J. L.},
62 Date-Added = {2014-02-21 18:20:31 +0000},
63 Date-Modified = {2014-02-21 18:31:54 +0000},
64 Doi = {10.1073/pnas.0701482104},
65 Eprint = {http://www.pnas.org/content/104/36/14215.full.pdf+html},
66 Journal = {Proceedings of the National Academy of Sciences},
67 Number = {36},
68 Pages = {14215-14220},
69 Title = {Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute \ce{HOD} in liquid \ce{D2O}},
70 Url = {http://www.pnas.org/content/104/36/14215.abstract},
71 Volume = {104},
72 Year = {2007},
73 Bdsk-Url-1 = {http://www.pnas.org/content/104/36/14215.abstract},
74 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0701482104}}
75
76 @article{Corcelli:2004ai,
77 Author = {Corcelli, S. A. and Lawrence, C. P. and Skinner, J. L.},
78 Date-Added = {2014-02-21 18:18:50 +0000},
79 Date-Modified = {2014-02-21 18:32:22 +0000},
80 Doi = {http://dx.doi.org/10.1063/1.1683072},
81 Journal = {The Journal of Chemical Physics},
82 Number = {17},
83 Pages = {8107-8117},
84 Title = {Combined electronic structure/molecular dynamics approach for ultrafast infrared spectroscopy of dilute \ce{HOD} in liquid \ce{H2O} and \ce{D2O}},
85 Url = {http://scitation.aip.org/content/aip/journal/jcp/120/17/10.1063/1.1683072},
86 Volume = {120},
87 Year = {2004},
88 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/120/17/10.1063/1.1683072},
89 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1683072}}
90
91 @article{Morales:2009fp,
92 Author = {Morales, Christine M. and Thompson, Ward H.},
93 Date-Added = {2014-02-21 17:59:53 +0000},
94 Date-Modified = {2014-02-21 18:33:21 +0000},
95 Doi = {10.1021/jp8072969},
96 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8072969},
97 Journal = {The Journal of Physical Chemistry A},
98 Note = {PMID: 19061371},
99 Number = {10},
100 Pages = {1922-1933},
101 Title = {Simulations of Infrared Spectra of Nanoconfined Liquids: Acetonitrile Confined in Nanoscale, Hydrophilic Silica Pores},
102 Url = {http://pubs.acs.org/doi/abs/10.1021/jp8072969},
103 Volume = {113},
104 Year = {2009},
105 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp8072969},
106 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp8072969}}
107
108 @article{Bose:2012eu,
109 Author = {Bose, Tushar Kanti and Saha, Jayashree},
110 Date-Added = {2014-02-21 14:00:07 +0000},
111 Date-Modified = {2014-02-21 14:00:07 +0000},
112 Doi = {10.1103/PhysRevE.86.050701},
113 Issue = {5},
114 Journal = {Phys. Rev. E},
115 Month = {Nov},
116 Numpages = {4},
117 Pages = {050701},
118 Publisher = {American Physical Society},
119 Title = {Origin of tilted-phase generation in systems of ellipsoidal molecules with dipolar interactions},
120 Url = {http://link.aps.org/doi/10.1103/PhysRevE.86.050701},
121 Volume = {86},
122 Year = {2012},
123 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.86.050701},
124 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.86.050701}}
125
126 @article{FILLER:1964yg,
127 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.},
128 Author = {A. S. Filler},
129 Date-Added = {2014-02-20 18:13:39 +0000},
130 Date-Modified = {2014-02-21 18:31:22 +0000},
131 Doi = {10.1364/JOSA.54.000762},
132 Journal = {J. Opt. Soc. Am.},
133 Month = {Jun},
134 Number = {6},
135 Pages = {762--764},
136 Publisher = {OSA},
137 Title = {Apodization and Interpolation in Fourier-Transform Spectroscopy},
138 Url = {http://www.opticsinfobase.org/abstract.cfm?URI=josa-54-6-762},
139 Volume = {54},
140 Year = {1964},
141 Bdsk-Url-1 = {http://www.opticsinfobase.org/abstract.cfm?URI=josa-54-6-762},
142 Bdsk-Url-2 = {http://dx.doi.org/10.1364/JOSA.54.000762}}
143
144 @article{Naylor:2007rm,
145 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.},
146 Author = {David A. Naylor and Margaret K. Tahic},
147 Date-Added = {2014-02-20 16:45:24 +0000},
148 Date-Modified = {2014-02-20 16:45:24 +0000},
149 Doi = {10.1364/JOSAA.24.003644},
150 Journal = {J. Opt. Soc. Am. A},
151 Keywords = {Linewidth; Spectroscopy, Fourier transforms},
152 Month = {Nov},
153 Number = {11},
154 Pages = {3644--3648},
155 Publisher = {OSA},
156 Title = {Apodizing functions for Fourier transform spectroscopy},
157 Url = {http://josaa.osa.org/abstract.cfm?URI=josaa-24-11-3644},
158 Volume = {24},
159 Year = {2007},
160 Bdsk-Url-1 = {http://josaa.osa.org/abstract.cfm?URI=josaa-24-11-3644},
161 Bdsk-Url-2 = {http://dx.doi.org/10.1364/JOSAA.24.003644}}
162
163 @article{Morse:1929xy,
164 Author = {Morse, Philip M.},
165 Date-Added = {2014-02-19 21:18:41 +0000},
166 Date-Modified = {2014-02-19 21:18:43 +0000},
167 Doi = {10.1103/PhysRev.34.57},
168 Issue = {1},
169 Journal = {Phys. Rev.},
170 Month = {Jul},
171 Numpages = {0},
172 Pages = {57--64},
173 Publisher = {American Physical Society},
174 Title = {Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels},
175 Url = {http://link.aps.org/doi/10.1103/PhysRev.34.57},
176 Volume = {34},
177 Year = {1929},
178 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRev.34.57},
179 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRev.34.57}}
180
181 @article{Lee:1988qf,
182 Author = {Lee, Chengteh and Yang, Weitao and Parr, Robert G.},
183 Date-Added = {2014-02-19 21:03:16 +0000},
184 Date-Modified = {2014-02-19 21:03:19 +0000},
185 Doi = {10.1103/PhysRevB.37.785},
186 Issue = {2},
187 Journal = {Phys. Rev. B},
188 Month = {Jan},
189 Numpages = {0},
190 Pages = {785--789},
191 Publisher = {American Physical Society},
192 Title = {Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density},
193 Url = {http://link.aps.org/doi/10.1103/PhysRevB.37.785},
194 Volume = {37},
195 Year = {1988},
196 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.37.785},
197 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.37.785}}
198
199 @article{Becke:1993kq,
200 Author = {Becke, Axel D.},
201 Date-Added = {2014-02-19 21:02:30 +0000},
202 Date-Modified = {2014-02-21 18:30:55 +0000},
203 Doi = {http://dx.doi.org/10.1063/1.464913},
204 Journal = {The Journal of Chemical Physics},
205 Number = {7},
206 Pages = {5648-5652},
207 Title = {Density-functional thermochemistry. III. The role of exact exchange},
208 Url = {http://scitation.aip.org/content/aip/journal/jcp/98/7/10.1063/1.464913},
209 Volume = {98},
210 Year = {1993},
211 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/98/7/10.1063/1.464913},
212 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.464913}}
213
214 @book{Collings:1997rz,
215 Author = {Collings, P.J. and Hird, M.},
216 Date-Added = {2014-02-18 21:05:20 +0000},
217 Date-Modified = {2014-02-18 21:05:20 +0000},
218 Isbn = {9780203211199},
219 Publisher = {Taylor \& Francis},
220 Series = {Liquid Crystals Book Series},
221 Title = {Introduction to Liquid Crystals: Chemistry and Physics},
222 Url = {http://books.google.com/books?id=GBeDkKpZ5VQC},
223 Year = {1997},
224 Bdsk-Url-1 = {http://books.google.com/books?id=GBeDkKpZ5VQC}}
225
226 @article{Cleaver:1996rt,
227 Author = {Cleaver, Douglas J. and Care, Christopher M. and Allen, Michael P. and Neal, Maureen P.},
228 Date-Added = {2014-02-18 21:01:40 +0000},
229 Date-Modified = {2014-02-18 21:01:42 +0000},
230 Doi = {10.1103/PhysRevE.54.559},
231 Issue = {1},
232 Journal = {Phys. Rev. E},
233 Month = {Jul},
234 Numpages = {0},
235 Pages = {559--567},
236 Publisher = {American Physical Society},
237 Title = {Extension and generalization of the Gay-Berne potential},
238 Url = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
239 Volume = {54},
240 Year = {1996},
241 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
242 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.54.559}}
243
244 @article{Kushick:1976xy,
245 Author = {Kushick, J. and Berne, Bruce J.},
246 Date-Added = {2014-02-18 21:00:21 +0000},
247 Date-Modified = {2014-02-18 21:00:21 +0000},
248 Doi = {http://dx.doi.org/10.1063/1.432403},
249 Journal = {The Journal of Chemical Physics},
250 Number = {4},
251 Pages = {1362-1367},
252 Title = {Computer simulation of anisotropic molecular fluids},
253 Url = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
254 Volume = {64},
255 Year = {1976},
256 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
257 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.432403}}
258
259 @article{Gay:1981yu,
260 Author = {Gay, J. G. and Berne, B. J.},
261 Date-Added = {2014-02-18 20:57:16 +0000},
262 Date-Modified = {2014-02-18 20:57:16 +0000},
263 Doi = {http://dx.doi.org/10.1063/1.441483},
264 Journal = {The Journal of Chemical Physics},
265 Number = {6},
266 Pages = {3316-3319},
267 Title = {Modification of the overlap potential to mimic a linear site--site potential},
268 Url = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
269 Volume = {74},
270 Year = {1981},
271 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
272 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.441483}}
273
274 @article{Choi:2008cr,
275 Author = {Choi, Jun-Ho and Oh, Kwang-Im and Lee, Hochan and Lee, Chewook and Cho, Minhaeng},
276 Date-Added = {2014-02-18 18:20:28 +0000},
277 Date-Modified = {2014-02-21 18:34:13 +0000},
278 Doi = {http://dx.doi.org/10.1063/1.2844787},
279 Eid = 134506,
280 Journal = {The Journal of Chemical Physics},
281 Number = {13},
282 Pages = {134506},
283 Title = {Nitrile and thiocyanate IR probes: Quantum chemistry calculation studies and multivariate least-square fitting analysis},
284 Url = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
285 Volume = {128},
286 Year = {2008},
287 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
288 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2844787}}
289
290 @article{Fafarman:2010dq,
291 Author = {Fafarman, Aaron T. and Sigala, Paul A. and Herschlag, Daniel and Boxer, Steven G.},
292 Date-Added = {2014-02-18 18:13:20 +0000},
293 Date-Modified = {2014-02-18 18:13:20 +0000},
294 Doi = {10.1021/ja104573b},
295 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja104573b},
296 Journal = {Journal of the American Chemical Society},
297 Number = {37},
298 Pages = {12811-12813},
299 Title = {Decomposition of Vibrational Shifts of Nitriles into Electrostatic and Hydrogen-Bonding Effects},
300 Url = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
301 Volume = {132},
302 Year = {2010},
303 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
304 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja104573b}}
305
306 @article{Lindquist:2008bh,
307 Author = {Lindquist, Beth A. and Haws, Ryan T. and Corcelli, Steven A.},
308 Date-Added = {2014-02-18 16:27:15 +0000},
309 Date-Modified = {2014-02-18 16:27:15 +0000},
310 Doi = {10.1021/jp804900u},
311 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804900u},
312 Journal = {The Journal of Physical Chemistry B},
313 Note = {PMID: 18855431},
314 Number = {44},
315 Pages = {13991-14001},
316 Title = {Optimized Quantum Mechanics/Molecular Mechanics Strategies for Nitrile Vibrational Probes: Acetonitrile and para-Tolunitrile in Water and Tetrahydrofuran},
317 Url = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
318 Volume = {112},
319 Year = {2008},
320 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
321 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804900u}}
322
323 @article{Lindquist:2008qf,
324 Author = {Lindquist, Beth A. and Corcelli, Steven A.},
325 Date-Added = {2014-02-18 16:26:29 +0000},
326 Date-Modified = {2014-02-21 18:05:15 +0000},
327 Doi = {10.1021/jp802039e},
328 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp802039e},
329 Journal = {The Journal of Physical Chemistry B},
330 Note = {PMID: 18438998},
331 Number = {20},
332 Pages = {6301-6303},
333 Title = {Nitrile Groups as Vibrational Probes: Calculations of the CN Infrared Absorption Line Shape of Acetonitrile in Water and Tetrahydrofuran},
334 Url = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
335 Volume = {112},
336 Year = {2008},
337 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
338 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp802039e}}
339
340 @article{Waegele:2010ve,
341 Author = {Waegele, Matthias M. and Gai, Feng},
342 Date-Added = {2014-02-18 16:24:37 +0000},
343 Date-Modified = {2014-02-18 16:24:37 +0000},
344 Doi = {10.1021/jz900429z},
345 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jz900429z},
346 Journal = {The Journal of Physical Chemistry Letters},
347 Number = {4},
348 Pages = {781-786},
349 Title = {Computational Modeling of the Nitrile Stretching Vibration of 5-Cyanoindole in Water},
350 Url = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
351 Volume = {1},
352 Year = {2010},
353 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
354 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jz900429z}}
355
356 @article{Leyte:1997zl,
357 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.},
358 Author = {J. C. Leyte and P. C. M. Van Woerkom},
359 Date-Added = {2014-02-18 16:19:03 +0000},
360 Date-Modified = {2014-02-21 18:35:10 +0000},
361 Journal = {Appl. Spectrosc.},
362 Month = {Nov},
363 Number = {11},
364 Pages = {1711--1714},
365 Publisher = {OSA},
366 Title = {FT-IR TRS of Liquid Crystalline 5CB in AC, DC, and AC $+$ DC Electric Fields},
367 Url = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711},
368 Volume = {51},
369 Year = {1997},
370 Bdsk-Url-1 = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711}}
371
372 @article{Moreno-Razo:2012rz,
373 Annote = {10.1038/nature11084},
374 Author = {Moreno-Razo, J. A. and Sambriski, E. J. and Abbott, N. L. and Hernandez-Ortiz, J. P. and de Pablo, J. J.},
375 Date = {2012/05/03/print},
376 Date-Added = {2014-02-18 16:07:15 +0000},
377 Date-Modified = {2014-02-18 16:07:15 +0000},
378 Day = {03},
379 Isbn = {0028-0836},
380 Journal = {Nature},
381 L3 = {http://www.nature.com/nature/journal/v485/n7396/abs/nature11084.html#supplementary-information},
382 M3 = {10.1038/nature11084},
383 Month = {05},
384 Number = {7396},
385 Pages = {86--89},
386 Publisher = {Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.},
387 Title = {Liquid-crystal-mediated self-assembly at nanodroplet interfaces},
388 Ty = {JOUR},
389 Url = {http://dx.doi.org/10.1038/nature11084},
390 Volume = {485},
391 Year = {2012},
392 Bdsk-Url-1 = {http://dx.doi.org/10.1038/nature11084}}
393
394 @article{Schkolnik:2012ty,
395 Author = {Schkolnik, Gal and Salewski, Johannes and Millo, Diego and Zebger, Ingo and Franzen, Stefan and Hildebrandt, Peter},
396 Date-Added = {2014-02-18 15:43:30 +0000},
397 Date-Modified = {2014-02-18 15:43:30 +0000},
398 Doi = {10.3390/ijms13067466},
399 Issn = {1422-0067},
400 Journal = {International Journal of Molecular Sciences},
401 Number = {6},
402 Pages = {7466--7482},
403 Pubmedid = {22837705},
404 Title = {Vibrational Stark Effect of the Electric-Field Reporter 4-Mercaptobenzonitrile as a Tool for Investigating Electrostatics at Electrode/SAM/Solution Interfaces},
405 Url = {http://www.mdpi.com/1422-0067/13/6/7466},
406 Volume = {13},
407 Year = {2012},
408 Bdsk-Url-1 = {http://www.mdpi.com/1422-0067/13/6/7466},
409 Bdsk-Url-2 = {http://dx.doi.org/10.3390/ijms13067466}}
410
411 @article{Andrews:2000qv,
412 Author = {Andrews, Steven S. and Boxer, Steven G.},
413 Date-Added = {2014-02-18 15:39:01 +0000},
414 Date-Modified = {2014-02-18 15:39:01 +0000},
415 Doi = {10.1021/jp002242r},
416 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp002242r},
417 Journal = {The Journal of Physical Chemistry A},
418 Number = {51},
419 Pages = {11853-11863},
420 Title = {Vibrational Stark Effects of Nitriles I. Methods and Experimental Results},
421 Url = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
422 Volume = {104},
423 Year = {2000},
424 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
425 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp002242r}}
426
427 @article{Oklejas:2002uq,
428 Author = {Oklejas, Vanessa and Sjostrom, Chris and Harris, Joel M.},
429 Date-Added = {2014-02-18 15:24:01 +0000},
430 Date-Modified = {2014-02-18 15:24:01 +0000},
431 Doi = {10.1021/ja017656s},
432 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja017656s},
433 Journal = {Journal of the American Chemical Society},
434 Number = {11},
435 Pages = {2408-2409},
436 Title = {SERS Detection of the Vibrational Stark Effect from Nitrile-Terminated SAMs to Probe Electric Fields in the Diffuse Double-Layer},
437 Url = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
438 Volume = {124},
439 Year = {2002},
440 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
441 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja017656s}}
442
443 @article{Lindquist:2009fk,
444 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.},
445 Author = {Lindquist, Beth A. and Furse, Kristina E. and Corcelli, Steven A.},
446 Date-Added = {2014-02-18 15:16:38 +0000},
447 Date-Modified = {2014-02-18 15:16:38 +0000},
448 Doi = {10.1039/B908588B},
449 Issue = {37},
450 Journal = {Phys. Chem. Chem. Phys.},
451 Pages = {8119-8132},
452 Publisher = {The Royal Society of Chemistry},
453 Title = {Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview},
454 Url = {http://dx.doi.org/10.1039/B908588B},
455 Volume = {11},
456 Year = {2009},
457 Bdsk-Url-1 = {http://dx.doi.org/10.1039/B908588B}}
458
459 @article{Meineke05,
460 Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
461 Date-Added = {2014-02-14 19:21:43 +0000},
462 Date-Modified = {2014-02-14 19:21:43 +0000},
463 Journal = {J. Comp. Chem.},
464 Pages = {252-271},
465 Title = {$\mbox{OOPSE: A}$n Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
466 Volume = 26,
467 Year = 2005}
468
469 @article{Fennell:2006zl,
470 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.},
471 Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
472 Author = {Fennell, Christopher~J. and Gezelter, J.~Daniel},
473 Date = {JUN 21 2006},
474 Date-Added = {2014-02-14 19:21:36 +0000},
475 Date-Modified = {2014-02-14 19:21:36 +0000},
476 Doi = {ARTN 234104},
477 Journal = jcp,
478 Publisher = {AMER INST PHYSICS},
479 Timescited = {15},
480 Title = {Is the {E}wald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
481 Volume = {124},
482 Year = {2006},
483 Bdsk-Url-1 = {http://dx.doi.org/234104}}
484
485 @article{PhysRevLett.111.227801,
486 Author = {Whitmer, Jonathan K. and Wang, Xiaoguang and Mondiot, Frederic and Miller, Daniel S. and Abbott, Nicholas L. and de Pablo, Juan J.},
487 Date-Added = {2014-02-06 20:01:25 +0000},
488 Date-Modified = {2014-02-06 20:01:25 +0000},
489 Doi = {10.1103/PhysRevLett.111.227801},
490 Issue = {22},
491 Journal = {Phys. Rev. Lett.},
492 Month = {Nov},
493 Numpages = {5},
494 Pages = {227801},
495 Publisher = {American Physical Society},
496 Title = {Nematic-Field-Driven Positioning of Particles in Liquid Crystal Droplets},
497 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.111.227801},
498 Volume = {111},
499 Year = {2013},
500 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.111.227801},
501 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.111.227801}}
502
503 @article{Oh:2008fk,
504 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.},
505 Author = {Oh, Kwang-Im and Choi, Jun-Ho and Lee, Joo-Hyun and Han, Jae-Beom and Lee, Hochan and Cho, Minhaeng},
506 Date-Added = {2014-02-06 18:11:52 +0000},
507 Date-Modified = {2014-02-06 18:11:52 +0000},
508 Doi = {10.1063/1.2904558},
509 Journal = {J Chem Phys},
510 Journal-Full = {The Journal of chemical physics},
511 Month = {Apr},
512 Number = {15},
513 Pages = {154504},
514 Pmid = {18433232},
515 Pst = {ppublish},
516 Title = {Nitrile and thiocyanate IR probes: molecular dynamics simulation studies},
517 Volume = {128},
518 Year = {2008},
519 Bdsk-File-1 = {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}}
520
521 @article{Gray:1973ca,
522 Author = {Gray, G.W. and Harrison, K.J. and Nash, J.A.},
523 Date-Added = {2014-01-20 19:18:33 +0000},
524 Date-Modified = {2014-01-20 19:18:35 +0000},
525 Doi = {10.1049/el:19730096},
526 Issn = {0013-5194},
527 Journal = {Electronics Letters},
528 Keywords = {display systems;electro-optical effects;liquid crystals;displays;nematic liquid crystals;positive dielectric anisotropy},
529 Number = {6},
530 Pages = {130-131},
531 Title = {New family of nematic liquid crystals for displays},
532 Volume = {9},
533 Year = {1973},
534 Bdsk-Url-1 = {http://dx.doi.org/10.1049/el:19730096}}
535
536 @article{Lee:2006qd,
537 Author = {Lee, Lay Min and Kwon, Hye J. and Kang, Joo H. and Nuzzo, Ralph G. and Schweizer, Kenneth S.},
538 Date-Added = {2014-01-20 19:14:33 +0000},
539 Date-Modified = {2014-01-20 19:39:28 +0000},
540 Doi = {http://dx.doi.org/10.1063/1.2210930},
541 Eid = 024705,
542 Journal = {The Journal of Chemical Physics},
543 Number = {2},
544 Pages = {024705},
545 Title = {Anchoring and electro-optical dynamics of thin liquid crystalline films in a polyimide cell: Experiment and theory},
546 Url = {http://scitation.aip.org/content/aip/journal/jcp/125/2/10.1063/1.2210930},
547 Volume = {125},
548 Year = {2006},
549 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/125/2/10.1063/1.2210930},
550 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2210930}}
551
552 @article{Zhang:2011hh,
553 Author = {Zhang, Jianguo and Su, Jiaye and Guo, Hongxia},
554 Date-Added = {2014-01-20 19:13:11 +0000},
555 Date-Modified = {2014-01-20 19:39:44 +0000},
556 Doi = {10.1021/jp111408n},
557 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp111408n},
558 Journal = {The Journal of Physical Chemistry B},
559 Number = {10},
560 Pages = {2214-2227},
561 Title = {An Atomistic Simulation for 4-Cyano-4$^\prime$-pentylbiphenyl and Its Homologue with a Reoptimized Force Field},
562 Url = {http://pubs.acs.org/doi/abs/10.1021/jp111408n},
563 Volume = {115},
564 Year = {2011},
565 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp111408n},
566 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp111408n}}
567
568 @article{Lim:2006xq,
569 Author = {Jong Kuk Lim and Ohyun Kwon and Dae Seung Kang and Sang-Woo Joo},
570 Date-Added = {2014-01-20 19:11:44 +0000},
571 Date-Modified = {2014-01-20 19:38:40 +0000},
572 Doi = {http://dx.doi.org/10.1016/j.cplett.2006.03.055},
573 Issn = {0009-2614},
574 Journal = {Chemical Physics Letters},
575 Number = {1--3},
576 Pages = {178 - 182},
577 Title = {Raman spectroscopy study and density functional theory calculations of the nematic liquid crystal 4-n-pentyl-4$^\prime$-cyanobiphenyl under an electric field},
578 Url = {http://www.sciencedirect.com/science/article/pii/S0009261406003873},
579 Volume = {423},
580 Year = {2006},
581 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261406003873},
582 Bdsk-Url-2 = {http://dx.doi.org/10.1016/j.cplett.2006.03.055}}
583
584 @article{Tucker:2004qq,
585 Author = {Tucker, Matthew J. and Getahun, Zelleka and Nanda, Vikas and DeGrado, William F. and Gai, Feng},
586 Date-Added = {2014-01-20 19:10:42 +0000},
587 Date-Modified = {2014-01-20 19:10:45 +0000},
588 Doi = {10.1021/ja032015d},
589 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja032015d},
590 Journal = {Journal of the American Chemical Society},
591 Number = {16},
592 Pages = {5078-5079},
593 Title = {A New Method for Determining the Local Environment and Orientation of Individual Side Chains of Membrane-Binding Peptides},
594 Url = {http://pubs.acs.org/doi/abs/10.1021/ja032015d},
595 Volume = {126},
596 Year = {2004},
597 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja032015d},
598 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja032015d}}
599
600 @article{Webb:2008kn,
601 Author = {Webb, Lauren J. and Boxer, Steven G.},
602 Date-Added = {2014-01-20 19:09:37 +0000},
603 Date-Modified = {2014-01-20 19:38:19 +0000},
604 Doi = {10.1021/bi701708u},
605 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/bi701708u},
606 Journal = {Biochemistry},
607 Note = {PMID: 18205401},
608 Number = {6},
609 Pages = {1588-1598},
610 Title = {Electrostatic Fields Near the Active Site of Human Aldose Reductase: 1. New Inhibitors and Vibrational Stark Effect Measurements},
611 Url = {http://pubs.acs.org/doi/abs/10.1021/bi701708u},
612 Volume = {47},
613 Year = {2008},
614 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/bi701708u},
615 Bdsk-Url-2 = {http://dx.doi.org/10.1021/bi701708u}}
616
617 @article{Boxer:2009xw,
618 Author = {Boxer, Steven G.},
619 Date-Added = {2014-01-20 19:07:47 +0000},
620 Date-Modified = {2014-01-20 19:37:48 +0000},
621 Doi = {10.1021/jp8067393},
622 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8067393},
623 Journal = {The Journal of Physical Chemistry B},
624 Number = {10},
625 Pages = {2972-2983},
626 Title = {Stark Realities},
627 Url = {http://pubs.acs.org/doi/abs/10.1021/jp8067393},
628 Volume = {113},
629 Year = {2009},
630 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp8067393},
631 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp8067393}}
632
633 @article{Hatta:1991ee,
634 Author = {A. Hatta and H. Amano and W. Su{\"e}taka},
635 Date-Added = {2014-01-20 19:05:00 +0000},
636 Date-Modified = {2014-01-20 19:05:03 +0000},
637 Doi = {http://dx.doi.org/10.1016/0924-2031(91)80006-A},
638 Issn = {0924-2031},
639 Journal = {Vibrational Spectroscopy},
640 Keywords = {Liquid crystals},
641 Number = {4},
642 Pages = {371 - 376},
643 Title = {Electric field response of 5CB liquid crystal molecules in the electrode boundary region as probed by modulation infrared \{ATR\} spectroscopy},
644 Url = {http://www.sciencedirect.com/science/article/pii/092420319180006A},
645 Volume = {1},
646 Year = {1991},
647 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/092420319180006A},
648 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0924-2031(91)80006-A}}
649
650 @incollection{Prost:1980wt,
651 Author = {Prost, J.},
652 Booktitle = {Liquid Crystals of One- and Two-Dimensional Order},
653 Date-Added = {2014-01-20 19:01:37 +0000},
654 Date-Modified = {2014-01-20 19:01:41 +0000},
655 Doi = {10.1007/978-3-642-67848-6_29},
656 Editor = {Helfrich, W. and Heppke, G.},
657 Isbn = {978-3-642-67850-9},
658 Language = {English},
659 Pages = {125-145},
660 Publisher = {Springer Berlin Heidelberg},
661 Series = {Springer Series in Chemical Physics},
662 Title = {Reflections on the Reentrant Nematic and the SA-SA Phase Transitions},
663 Url = {http://dx.doi.org/10.1007/978-3-642-67848-6_29},
664 Volume = {11},
665 Year = {1980},
666 Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-67848-6_29}}
667
668 @article{HARDOUIN:1983qf,
669 Author = {HARDOUIN, F and LEVELUT, AM and ACHARD, MF and SIGAUD, G},
670 Date-Added = {2014-01-20 18:56:21 +0000},
671 Date-Modified = {2014-01-20 18:56:21 +0000},
672 Issn = {{0021-7689}},
673 Journal = {{JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE}},
674 Number = {{1}},
675 Pages = {{53-64}},
676 Title = {{POLYMORPHISM IN POLAR MESOGENS .1. PHYSICO-CHEMISTRY AND STRUCTURAL ASPECTS}},
677 Unique-Id = {{ISI:A1983QJ60700008}},
678 Volume = {{80}},
679 Year = {{1983}}}
680
681 @article{Leadbetter:1976vf,
682 Author = {Leadbetter, A. J. and Durrant, J. L. A. and Rugman, M.},
683 Date-Added = {2014-01-20 18:54:50 +0000},
684 Date-Modified = {2014-01-20 18:54:54 +0000},
685 Doi = {10.1080/15421407708083712},
686 Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/15421407708083712},
687 Journal = {Molecular Crystals and Liquid Crystals},
688 Number = {10},
689 Pages = {231-235},
690 Title = {The Density Of 4 n-Octyl-4-Cyano-Biphenyl (8CB)},
691 Url = {http://www.tandfonline.com/doi/abs/10.1080/15421407708083712},
692 Volume = {34},
693 Year = {1976},
694 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/15421407708083712},
695 Bdsk-Url-2 = {http://dx.doi.org/10.1080/15421407708083712}}
696
697 @book{Gray:1984hc,
698 Author = {Gray, G.W. and Goodby, J.W.G.},
699 Date-Added = {2014-01-20 18:39:08 +0000},
700 Date-Modified = {2014-01-20 18:39:08 +0000},
701 Isbn = {9780249441680},
702 Lccn = {lc84164554},
703 Publisher = {L. Hill},
704 Title = {Smectic liquid crystals: textures and structures},
705 Url = {http://books.google.com/books?id=WgTwAAAAMAAJ},
706 Year = {1984},
707 Bdsk-Url-1 = {http://books.google.com/books?id=WgTwAAAAMAAJ}}
708
709 @article{Vanakaras:1998it,
710 Author = {Vanakaras, Alexandros G. and Photinos, Demetri J. and Samulski, Edward T.},
711 Date-Added = {2014-01-20 18:37:13 +0000},
712 Date-Modified = {2014-01-20 18:37:15 +0000},
713 Doi = {10.1103/PhysRevE.57.R4875},
714 Issue = {5},
715 Journal = {Phys. Rev. E},
716 Month = {May},
717 Numpages = {0},
718 Pages = {R4875--R4878},
719 Publisher = {American Physical Society},
720 Title = {Tilt, polarity, and spontaneous symmetry breaking in liquid crystals},
721 Url = {http://link.aps.org/doi/10.1103/PhysRevE.57.R4875},
722 Volume = {57},
723 Year = {1998},
724 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.57.R4875},
725 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.57.R4875}}
726
727 @article{Prost:1984qe,
728 Author = {Prost, J.},
729 Date-Added = {2014-01-20 18:36:25 +0000},
730 Date-Modified = {2014-01-20 18:36:29 +0000},
731 Doi = {10.1080/00018738400101631},
732 Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/00018738400101631},
733 Journal = {Advances in Physics},
734 Number = {1},
735 Pages = {1-46},
736 Title = {The smectic state},
737 Url = {http://www.tandfonline.com/doi/abs/10.1080/00018738400101631},
738 Volume = {33},
739 Year = {1984},
740 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/00018738400101631},
741 Bdsk-Url-2 = {http://dx.doi.org/10.1080/00018738400101631}}
742
743 @article{Photinos:1976xe,
744 Author = {Photinos, Panagoitis J. and Saupe, Alfred},
745 Date-Added = {2014-01-20 18:34:10 +0000},
746 Date-Modified = {2014-01-20 18:34:14 +0000},
747 Doi = {10.1103/PhysRevA.13.1926},
748 Issue = {5},
749 Journal = {Phys. Rev. A},
750 Month = {May},
751 Numpages = {0},
752 Pages = {1926--1930},
753 Publisher = {American Physical Society},
754 Title = {Mean-field study of uniaxial smectic liquid crystals with polarized layers},
755 Url = {http://link.aps.org/doi/10.1103/PhysRevA.13.1926},
756 Volume = {13},
757 Year = {1976},
758 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.13.1926},
759 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.13.1926}}
760
761 @article{Netz:1992cr,
762 Author = {Netz, Roland R. and Berker, A. Nihat},
763 Date-Added = {2014-01-20 18:33:40 +0000},
764 Date-Modified = {2014-01-20 18:33:43 +0000},
765 Doi = {10.1103/PhysRevLett.68.333},
766 Issue = {3},
767 Journal = {Phys. Rev. Lett.},
768 Month = {Jan},
769 Numpages = {0},
770 Pages = {333--336},
771 Publisher = {American Physical Society},
772 Title = {Smectic-<i>C</i> order, in-plane domains, and nematic reentrance in a microscopic model of liquid crystals},
773 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.68.333},
774 Volume = {68},
775 Year = {1992},
776 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.68.333},
777 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.68.333}}
778
779 @article{Meyer:1976qd,
780 Author = {Meyer, Robert B. and Lubensky, T. C.},
781 Date-Added = {2014-01-20 18:33:13 +0000},
782 Date-Modified = {2014-01-20 19:12:04 +0000},
783 Doi = {10.1103/PhysRevA.14.2307},
784 Issue = {6},
785 Journal = {Phys. Rev. A},
786 Month = {Dec},
787 Numpages = {0},
788 Pages = {2307--2320},
789 Publisher = {American Physical Society},
790 Title = {Mean-field theory of the nematic-smectic-A phase change in liquid crystals},
791 Url = {http://link.aps.org/doi/10.1103/PhysRevA.14.2307},
792 Volume = {14},
793 Year = {1976},
794 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.14.2307},
795 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.14.2307}}
796
797 @article{Levesque:1993pd,
798 Author = {Levesque, D. and Weis, J. J. and Zarragoicoechea, G. J.},
799 Date-Added = {2014-01-20 18:32:43 +0000},
800 Date-Modified = {2014-01-20 18:32:45 +0000},
801 Doi = {10.1103/PhysRevE.47.496},
802 Issue = {1},
803 Journal = {Phys. Rev. E},
804 Month = {Jan},
805 Numpages = {0},
806 Pages = {496--505},
807 Publisher = {American Physical Society},
808 Title = {Monte Carlo simulation study of mesophase formation in dipolar spherocylinders},
809 Url = {http://link.aps.org/doi/10.1103/PhysRevE.47.496},
810 Volume = {47},
811 Year = {1993},
812 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.47.496},
813 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.47.496}}
814
815 @article{Levelut:1981eu,
816 Author = {Levelut, A. M. and Tarento, R. J. and Hardouin, F. and Achard, M. F. and Sigaud, G.},
817 Date-Added = {2014-01-20 18:32:07 +0000},
818 Date-Modified = {2014-02-21 18:30:08 +0000},
819 Doi = {10.1103/PhysRevA.24.2180},
820 Issue = {4},
821 Journal = {Phys. Rev. A},
822 Month = {Oct},
823 Numpages = {0},
824 Pages = {2180--2186},
825 Publisher = {American Physical Society},
826 Title = {Number of $S_A$ phases},
827 Url = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
828 Volume = {24},
829 Year = {1981},
830 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
831 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.24.2180}}
832
833 @article{Jeu:1983ly,
834 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.},
835 Author = {Jeu, W. H. De and Raynes, E. P. and Price, A. H. and Clark, M. G.},
836 Date-Added = {2014-01-20 18:30:36 +0000},
837 Date-Modified = {2014-01-20 18:30:39 +0000},
838 Doi = {10.1098/rsta.1983.0035},
839 Eprint = {http://rsta.royalsocietypublishing.org/content/309/1507/217.full.pdf+html},
840 Journal = {Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences},
841 Number = {1507},
842 Pages = {217-229},
843 Title = {Liquid Crystalline Materials: Physical Properties and Intermolecular Interactions [and Discussion]},
844 Url = {http://rsta.royalsocietypublishing.org/content/309/1507/217.abstract},
845 Volume = {309},
846 Year = {1983},
847 Bdsk-Url-1 = {http://rsta.royalsocietypublishing.org/content/309/1507/217.abstract},
848 Bdsk-Url-2 = {http://dx.doi.org/10.1098/rsta.1983.0035}}
849
850 @article{Indekeu:1986ty,
851 Author = {Indekeu, J. O. and Berker, A. Nihat},
852 Date-Added = {2014-01-20 18:27:51 +0000},
853 Date-Modified = {2014-01-20 18:50:31 +0000},
854 Doi = {10.1103/PhysRevA.33.1158},
855 Issue = {2},
856 Journal = {Phys. Rev. A},
857 Month = {Feb},
858 Numpages = {0},
859 Pages = {1158--1162},
860 Publisher = {American Physical Society},
861 Title = {Quadruple reentrance (nematic-smectic-Ad-nematic-smectic-Ad-nematic-smectic-A1) from the frustrated spin-gas model of liquid crystals},
862 Url = {http://link.aps.org/doi/10.1103/PhysRevA.33.1158},
863 Volume = {33},
864 Year = {1986},
865 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.33.1158},
866 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.33.1158}}
867
868 @incollection{Hardouin:1980yq,
869 Author = {Hardouin, F. and Levelut, A.M. and Benattar, J.J. and Sigaud, G.},
870 Booktitle = {Liquid Crystals of One- and Two-Dimensional Order},
871 Date-Added = {2014-01-20 18:26:57 +0000},
872 Date-Modified = {2014-01-20 18:26:59 +0000},
873 Doi = {10.1007/978-3-642-67848-6_31},
874 Editor = {Helfrich, W. and Heppke, G.},
875 Isbn = {978-3-642-67850-9},
876 Language = {English},
877 Pages = {147-147},
878 Publisher = {Springer Berlin Heidelberg},
879 Series = {Springer Series in Chemical Physics},
880 Title = {X-Ray Investigations of the Smectic A1 --- Smectic A2 Transition},
881 Url = {http://dx.doi.org/10.1007/978-3-642-67848-6_31},
882 Volume = {11},
883 Year = {1980},
884 Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-67848-6_31}}
885
886 @article{Dowell:1985qf,
887 Author = {Dowell, F.},
888 Date-Added = {2014-01-20 18:25:24 +0000},
889 Date-Modified = {2014-01-20 18:25:26 +0000},
890 Doi = {10.1103/PhysRevA.31.3214},
891 Issue = {5},
892 Journal = {Phys. Rev. A},
893 Month = {May},
894 Numpages = {0},
895 Pages = {3214--3219},
896 Publisher = {American Physical Society},
897 Title = {Effect of longitudinal dipoles in liquid crystals},
898 Url = {http://link.aps.org/doi/10.1103/PhysRevA.31.3214},
899 Volume = {31},
900 Year = {1985},
901 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.31.3214},
902 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.31.3214}}
903
904 @article{Baus:1989fk,
905 Author = {Baus, Marc and Colot, Jean-Louis},
906 Date-Added = {2014-01-20 18:24:36 +0000},
907 Date-Modified = {2014-01-20 18:24:39 +0000},
908 Doi = {10.1103/PhysRevA.40.5444},
909 Issue = {9},
910 Journal = {Phys. Rev. A},
911 Month = {Nov},
912 Numpages = {0},
913 Pages = {5444--5446},
914 Publisher = {American Physical Society},
915 Title = {Ferroelectric nematic liquid-crystal phases of dipolar hard ellipsoids},
916 Url = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
917 Volume = {40},
918 Year = {1989},
919 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
920 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.40.5444}}