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1 gezelter 4007 %% This BibTeX bibliography file was created using BibDesk.
2     %% http://bibdesk.sourceforge.net/
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5 gezelter 4028 %% Created for Dan Gezelter at 2014-02-18 16:06:29 -0500
6 gezelter 4007
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11    
12 gezelter 4028 @book{Collings:1997rz,
13     Author = {Collings, P.J. and Hird, M.},
14     Date-Added = {2014-02-18 21:05:20 +0000},
15     Date-Modified = {2014-02-18 21:05:20 +0000},
16     Isbn = {9780203211199},
17     Publisher = {Taylor \& Francis},
18     Series = {Liquid Crystals Book Series},
19     Title = {Introduction to Liquid Crystals: Chemistry and Physics},
20     Url = {http://books.google.com/books?id=GBeDkKpZ5VQC},
21     Year = {1997},
22     Bdsk-Url-1 = {http://books.google.com/books?id=GBeDkKpZ5VQC}}
23    
24     @article{Cleaver:1996rt,
25     Author = {Cleaver, Douglas J. and Care, Christopher M. and Allen, Michael P. and Neal, Maureen P.},
26     Date-Added = {2014-02-18 21:01:40 +0000},
27     Date-Modified = {2014-02-18 21:01:42 +0000},
28     Doi = {10.1103/PhysRevE.54.559},
29     Issue = {1},
30     Journal = {Phys. Rev. E},
31     Month = {Jul},
32     Numpages = {0},
33     Pages = {559--567},
34     Publisher = {American Physical Society},
35     Title = {Extension and generalization of the Gay-Berne potential},
36     Url = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
37     Volume = {54},
38     Year = {1996},
39     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
40     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.54.559}}
41    
42     @article{Kushick:1976xy,
43     Author = {Kushick, J. and Berne, Bruce J.},
44     Date-Added = {2014-02-18 21:00:21 +0000},
45     Date-Modified = {2014-02-18 21:00:21 +0000},
46     Doi = {http://dx.doi.org/10.1063/1.432403},
47     Journal = {The Journal of Chemical Physics},
48     Number = {4},
49     Pages = {1362-1367},
50     Title = {Computer simulation of anisotropic molecular fluids},
51     Url = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
52     Volume = {64},
53     Year = {1976},
54     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
55     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.432403}}
56    
57     @article{Gay:1981yu,
58     Author = {Gay, J. G. and Berne, B. J.},
59     Date-Added = {2014-02-18 20:57:16 +0000},
60     Date-Modified = {2014-02-18 20:57:16 +0000},
61     Doi = {http://dx.doi.org/10.1063/1.441483},
62     Journal = {The Journal of Chemical Physics},
63     Number = {6},
64     Pages = {3316-3319},
65     Title = {Modification of the overlap potential to mimic a linear site--site potential},
66     Url = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
67     Volume = {74},
68     Year = {1981},
69     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
70     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.441483}}
71    
72     @article{Luckhurst90,
73     Author = {Luckhurst, G.~R. and Stephens, R.~A. and Phippen, R.~W.},
74     Date = OCT,
75     Date-Added = {2014-02-18 20:38:33 +0000},
76     Date-Modified = {2014-02-18 20:38:33 +0000},
77     Journal = lc,
78     Number = 4,
79     Pages = {451 - 464},
80     Title = {COMPUTER-SIMULATION STUDIES OF ANISOTROPIC SYSTEMS .19. MESOPHASES FORMED BY THE GAY-BERNE MODEL MESOGEN},
81     Volume = 8,
82     Year = 1990}
83    
84     @article{Berne72,
85     Author = {Berne, B.~J. and Pechukas, P},
86     Date-Added = {2014-02-18 20:38:09 +0000},
87     Date-Modified = {2014-02-18 20:38:09 +0000},
88     Journal = {Journal of Chemical Physics},
89     Number = 8,
90     Pages = {4213-4216},
91     Title = {Gaussian Model Potentials for Molecular Interactions},
92     Volume = 56,
93     Year = 1972}
94    
95     @article{Choi:2008cr,
96     Author = {Choi, Jun-Ho and Oh, Kwang-Im and Lee, Hochan and Lee, Chewook and Cho, Minhaeng},
97     Date-Added = {2014-02-18 18:20:28 +0000},
98     Date-Modified = {2014-02-18 18:20:28 +0000},
99     Doi = {http://dx.doi.org/10.1063/1.2844787},
100     Eid = 134506,
101     Journal = {The Journal of Chemical Physics},
102     Number = {13},
103     Pages = {-},
104     Title = {Nitrile and thiocyanate IR probes: Quantum chemistry calculation studies and multivariate least-square fitting analysis},
105     Url = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
106     Volume = {128},
107     Year = {2008},
108     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
109     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2844787}}
110    
111     @article{Fafarman:2010dq,
112     Author = {Fafarman, Aaron T. and Sigala, Paul A. and Herschlag, Daniel and Boxer, Steven G.},
113     Date-Added = {2014-02-18 18:13:20 +0000},
114     Date-Modified = {2014-02-18 18:13:20 +0000},
115     Doi = {10.1021/ja104573b},
116     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja104573b},
117     Journal = {Journal of the American Chemical Society},
118     Number = {37},
119     Pages = {12811-12813},
120     Title = {Decomposition of Vibrational Shifts of Nitriles into Electrostatic and Hydrogen-Bonding Effects},
121     Url = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
122     Volume = {132},
123     Year = {2010},
124     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
125     Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja104573b}}
126    
127     @article{Lindquist:2008bh,
128     Author = {Lindquist, Beth A. and Haws, Ryan T. and Corcelli, Steven A.},
129     Date-Added = {2014-02-18 16:27:15 +0000},
130     Date-Modified = {2014-02-18 16:27:15 +0000},
131     Doi = {10.1021/jp804900u},
132     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804900u},
133     Journal = {The Journal of Physical Chemistry B},
134     Note = {PMID: 18855431},
135     Number = {44},
136     Pages = {13991-14001},
137     Title = {Optimized Quantum Mechanics/Molecular Mechanics Strategies for Nitrile Vibrational Probes: Acetonitrile and para-Tolunitrile in Water and Tetrahydrofuran},
138     Url = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
139     Volume = {112},
140     Year = {2008},
141     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
142     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804900u}}
143    
144     @article{Lindquist:2008qf,
145     Author = {Lindquist, Beth A. and Corcelli, Steven A.},
146     Date-Added = {2014-02-18 16:26:29 +0000},
147     Date-Modified = {2014-02-18 16:26:29 +0000},
148     Doi = {10.1021/jp802039e},
149     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp802039e},
150     Journal = {The Journal of Physical Chemistry B},
151     Note = {PMID: 18438998},
152     Number = {20},
153     Pages = {6301-6303},
154     Title = {Nitrile Groups as Vibrational Probes: Calculations of the CN Infrared Absorption Line Shape of Acetonitrile in Water and Tetrahydrofuran},
155     Url = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
156     Volume = {112},
157     Year = {2008},
158     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
159     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp802039e}}
160    
161     @article{Waegele:2010ve,
162     Author = {Waegele, Matthias M. and Gai, Feng},
163     Date-Added = {2014-02-18 16:24:37 +0000},
164     Date-Modified = {2014-02-18 16:24:37 +0000},
165     Doi = {10.1021/jz900429z},
166     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jz900429z},
167     Journal = {The Journal of Physical Chemistry Letters},
168     Number = {4},
169     Pages = {781-786},
170     Title = {Computational Modeling of the Nitrile Stretching Vibration of 5-Cyanoindole in Water},
171     Url = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
172     Volume = {1},
173     Year = {2010},
174     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
175     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jz900429z}}
176    
177     @article{Leyte:1997zl,
178     Abstract = {Time-resolved (TR) spectra of 5CB in the millisecond domain were obtained during excitation with electric fields of different time dependence: ac, dc, and ac $+$ dc. The response to ac excitation occurs mainly at twice the modulating frequency. The effect of the addition of dc to an ac field is the induction of an additional response at the ac frequency. The additional 'single frequency' response persists indefinitely, even though the response to the application of only a permanent dc field relaxes within roughly 200 ms. The amplitude of the oscillating responses diminishes with increasing ac frequency. This result is in accordance with the expected response to the torque exerted by the ac field. Different functional group absorptions respond without a significant phase difference in this time scale.},
179     Author = {J. C. Leyte and P. C. M. Van Woerkom},
180     Date-Added = {2014-02-18 16:19:03 +0000},
181     Date-Modified = {2014-02-18 16:19:03 +0000},
182     Journal = {Appl. Spectrosc.},
183     Month = {Nov},
184     Number = {11},
185     Pages = {1711--1714},
186     Publisher = {OSA},
187     Title = {FT-IR TRS of Liquid Crystalline 5CB in ac, dc, and ac $+$ dc Electric Fields},
188     Url = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711},
189     Volume = {51},
190     Year = {1997},
191     Bdsk-Url-1 = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711}}
192    
193     @article{Moreno-Razo:2012rz,
194     Annote = {10.1038/nature11084},
195     Author = {Moreno-Razo, J. A. and Sambriski, E. J. and Abbott, N. L. and Hernandez-Ortiz, J. P. and de Pablo, J. J.},
196     Date = {2012/05/03/print},
197     Date-Added = {2014-02-18 16:07:15 +0000},
198     Date-Modified = {2014-02-18 16:07:15 +0000},
199     Day = {03},
200     Isbn = {0028-0836},
201     Journal = {Nature},
202     L3 = {http://www.nature.com/nature/journal/v485/n7396/abs/nature11084.html#supplementary-information},
203     M3 = {10.1038/nature11084},
204     Month = {05},
205     Number = {7396},
206     Pages = {86--89},
207     Publisher = {Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.},
208     Title = {Liquid-crystal-mediated self-assembly at nanodroplet interfaces},
209     Ty = {JOUR},
210     Url = {http://dx.doi.org/10.1038/nature11084},
211     Volume = {485},
212     Year = {2012},
213     Bdsk-Url-1 = {http://dx.doi.org/10.1038/nature11084}}
214    
215     @article{Schkolnik:2012ty,
216     Author = {Schkolnik, Gal and Salewski, Johannes and Millo, Diego and Zebger, Ingo and Franzen, Stefan and Hildebrandt, Peter},
217     Date-Added = {2014-02-18 15:43:30 +0000},
218     Date-Modified = {2014-02-18 15:43:30 +0000},
219     Doi = {10.3390/ijms13067466},
220     Issn = {1422-0067},
221     Journal = {International Journal of Molecular Sciences},
222     Number = {6},
223     Pages = {7466--7482},
224     Pubmedid = {22837705},
225     Title = {Vibrational Stark Effect of the Electric-Field Reporter 4-Mercaptobenzonitrile as a Tool for Investigating Electrostatics at Electrode/SAM/Solution Interfaces},
226     Url = {http://www.mdpi.com/1422-0067/13/6/7466},
227     Volume = {13},
228     Year = {2012},
229     Bdsk-Url-1 = {http://www.mdpi.com/1422-0067/13/6/7466},
230     Bdsk-Url-2 = {http://dx.doi.org/10.3390/ijms13067466}}
231    
232     @article{Andrews:2000qv,
233     Author = {Andrews, Steven S. and Boxer, Steven G.},
234     Date-Added = {2014-02-18 15:39:01 +0000},
235     Date-Modified = {2014-02-18 15:39:01 +0000},
236     Doi = {10.1021/jp002242r},
237     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp002242r},
238     Journal = {The Journal of Physical Chemistry A},
239     Number = {51},
240     Pages = {11853-11863},
241     Title = {Vibrational Stark Effects of Nitriles I. Methods and Experimental Results},
242     Url = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
243     Volume = {104},
244     Year = {2000},
245     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
246     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp002242r}}
247    
248     @article{Oklejas:2002uq,
249     Author = {Oklejas, Vanessa and Sjostrom, Chris and Harris, Joel M.},
250     Date-Added = {2014-02-18 15:24:01 +0000},
251     Date-Modified = {2014-02-18 15:24:01 +0000},
252     Doi = {10.1021/ja017656s},
253     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja017656s},
254     Journal = {Journal of the American Chemical Society},
255     Number = {11},
256     Pages = {2408-2409},
257     Title = {SERS Detection of the Vibrational Stark Effect from Nitrile-Terminated SAMs to Probe Electric Fields in the Diffuse Double-Layer},
258     Url = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
259     Volume = {124},
260     Year = {2002},
261     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
262     Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja017656s}}
263    
264     @article{Lindquist:2009fk,
265     Abstract = {This paper presents an overview of recent experiments and theoretical developments aimed at using vibrational spectroscopy to understand the structure and dynamics of nitrile-labeled biomolecules. Nitrile groups are excellent vibrational probes of proteins and DNA because they absorb in a region of the spectrum that is relatively free of absorption due to the biomolecule{,} and they have high extinction coefficients. The vibrational frequency of nitrile groups is also extraordinarily sensitive to its local environment{,} and thus C[triple bond{,} length as m-dash]N bonds have been employed in both linear and 2-D infrared (IR) spectroscopy experiments and also as vibrational Stark probes of electric fields in proteins. The interpretation and design of these experiments would be enhanced by accurate calculations of IR spectra from molecular dynamics simulations. Recently{,} theoretical developments towards computing the vibrational spectrum of nitrile groups in the condensed-phase have been highly successful. A strong synergy between experiment and theory will further promote the use of vibrational spectroscopy of nitrile-labeled biomolecules to address fundamental questions of structure and dynamics that are elusive to other techniques.},
266     Author = {Lindquist, Beth A. and Furse, Kristina E. and Corcelli, Steven A.},
267     Date-Added = {2014-02-18 15:16:38 +0000},
268     Date-Modified = {2014-02-18 15:16:38 +0000},
269     Doi = {10.1039/B908588B},
270     Issue = {37},
271     Journal = {Phys. Chem. Chem. Phys.},
272     Pages = {8119-8132},
273     Publisher = {The Royal Society of Chemistry},
274     Title = {Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview},
275     Url = {http://dx.doi.org/10.1039/B908588B},
276     Volume = {11},
277     Year = {2009},
278     Bdsk-Url-1 = {http://dx.doi.org/10.1039/B908588B}}
279    
280 gezelter 4027 @article{Meineke05,
281     Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
282     Date-Added = {2014-02-14 19:21:43 +0000},
283     Date-Modified = {2014-02-14 19:21:43 +0000},
284     Journal = {J. Comp. Chem.},
285     Pages = {252-271},
286     Title = {$\mbox{OOPSE: A}$n Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
287     Volume = 26,
288     Year = 2005}
289    
290     @article{Fennell:2006zl,
291     Abstract = {We investigate pairwise electrostatic interaction methods and show that there are viable computationally efficient (O(N)) alternatives to the Ewald summation for typical modern molecular simulations. These methods are extended from the damped and cutoff-neutralized Coulombic sum originally proposed by Wolf [J. Chem. Phys. 110, 8255 (1999)]. One of these, the damped shifted force method, shows a remarkable ability to reproduce the energetic and dynamic characteristics exhibited by simulations employing lattice summation techniques. Comparisons were performed with this and other pairwise methods against the smooth particle-mesh Ewald summation to see how well they reproduce the energetics and dynamics of a variety of molecular simulations. (c) 2006 American Institute of Physics.},
292     Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
293     Author = {Fennell, Christopher~J. and Gezelter, J.~Daniel},
294     Date = {JUN 21 2006},
295     Date-Added = {2014-02-14 19:21:36 +0000},
296     Date-Modified = {2014-02-14 19:21:36 +0000},
297     Doi = {ARTN 234104},
298     Journal = jcp,
299     Publisher = {AMER INST PHYSICS},
300     Timescited = {15},
301     Title = {Is the {E}wald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
302     Volume = {124},
303     Year = {2006},
304     Bdsk-Url-1 = {http://dx.doi.org/234104}}
305    
306 jmarr 4025 @article{PhysRevLett.111.227801,
307     Author = {Whitmer, Jonathan K. and Wang, Xiaoguang and Mondiot, Frederic and Miller, Daniel S. and Abbott, Nicholas L. and de Pablo, Juan J.},
308     Date-Added = {2014-02-06 20:01:25 +0000},
309     Date-Modified = {2014-02-06 20:01:25 +0000},
310     Doi = {10.1103/PhysRevLett.111.227801},
311     Issue = {22},
312     Journal = {Phys. Rev. Lett.},
313     Month = {Nov},
314     Numpages = {5},
315     Pages = {227801},
316     Publisher = {American Physical Society},
317     Title = {Nematic-Field-Driven Positioning of Particles in Liquid Crystal Droplets},
318     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.111.227801},
319     Volume = {111},
320     Year = {2013},
321     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.111.227801},
322     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.111.227801}}
323    
324 jmarr 4024 @article{Oh:2008fk,
325     Abstract = {Nitrile- and thiocyanate-derivatized amino acids have been found to be useful IR probes for investigating their local electrostatic environments in proteins. To shed light on the CN stretch frequency shift and spectral lineshape change induced by interactions with hydrogen-bonding solvent molecules, we carried out both classical and quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) simulations for MeCN and MeSCN in water. These QM/MM and conventional force field MD simulation results were found to be inconsistent with the experimental results as well as with the high-level ab initio calculation results of MeCN-water and MeSCN-water potential energies. Thus, a new set of atomic partial charges of MeCN and MeSCN is obtained. By using the MD simulation trajectories and the electrostatic potential model recently developed, the CN and SCN stretching mode frequency trajectories were obtained and used to simulate the IR spectra. The C[Triple Bond]N frequency blueshifts of MeCN and MeSCN in water are estimated to be 9.0 and 1.9 cm(-1), respectively, in comparison with those of gas phase values. These values are found to be in reasonable agreement with the experimentally measured IR spectra of MeCN, MeSCN, beta-cyano-L-alanine, and cyanylated cysteine in water and other polar solvents.},
326     Author = {Oh, Kwang-Im and Choi, Jun-Ho and Lee, Joo-Hyun and Han, Jae-Beom and Lee, Hochan and Cho, Minhaeng},
327     Date-Added = {2014-02-06 18:11:52 +0000},
328     Date-Modified = {2014-02-06 18:11:52 +0000},
329     Doi = {10.1063/1.2904558},
330     Journal = {J Chem Phys},
331     Journal-Full = {The Journal of chemical physics},
332     Month = {Apr},
333     Number = {15},
334     Pages = {154504},
335     Pmid = {18433232},
336     Pst = {ppublish},
337     Title = {Nitrile and thiocyanate IR probes: molecular dynamics simulation studies},
338     Volume = {128},
339     Year = {2008},
340     Bdsk-File-1 = {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}}
341    
342 gezelter 4007 @article{Gray:1973ca,
343     Author = {Gray, G.W. and Harrison, K.J. and Nash, J.A.},
344     Date-Added = {2014-01-20 19:18:33 +0000},
345     Date-Modified = {2014-01-20 19:18:35 +0000},
346     Doi = {10.1049/el:19730096},
347     Issn = {0013-5194},
348     Journal = {Electronics Letters},
349     Keywords = {display systems;electro-optical effects;liquid crystals;displays;nematic liquid crystals;positive dielectric anisotropy},
350     Number = {6},
351     Pages = {130-131},
352     Title = {New family of nematic liquid crystals for displays},
353     Volume = {9},
354     Year = {1973},
355     Bdsk-Url-1 = {http://dx.doi.org/10.1049/el:19730096}}
356    
357     @article{Lee:2006qd,
358     Author = {Lee, Lay Min and Kwon, Hye J. and Kang, Joo H. and Nuzzo, Ralph G. and Schweizer, Kenneth S.},
359     Date-Added = {2014-01-20 19:14:33 +0000},
360     Date-Modified = {2014-01-20 19:39:28 +0000},
361     Doi = {http://dx.doi.org/10.1063/1.2210930},
362     Eid = 024705,
363     Journal = {The Journal of Chemical Physics},
364     Number = {2},
365     Pages = {024705},
366     Title = {Anchoring and electro-optical dynamics of thin liquid crystalline films in a polyimide cell: Experiment and theory},
367     Url = {http://scitation.aip.org/content/aip/journal/jcp/125/2/10.1063/1.2210930},
368     Volume = {125},
369     Year = {2006},
370     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/125/2/10.1063/1.2210930},
371     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2210930}}
372    
373     @article{Zhang:2011hh,
374     Author = {Zhang, Jianguo and Su, Jiaye and Guo, Hongxia},
375     Date-Added = {2014-01-20 19:13:11 +0000},
376     Date-Modified = {2014-01-20 19:39:44 +0000},
377     Doi = {10.1021/jp111408n},
378     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp111408n},
379     Journal = {The Journal of Physical Chemistry B},
380     Number = {10},
381     Pages = {2214-2227},
382     Title = {An Atomistic Simulation for 4-Cyano-4$^\prime$-pentylbiphenyl and Its Homologue with a Reoptimized Force Field},
383     Url = {http://pubs.acs.org/doi/abs/10.1021/jp111408n},
384     Volume = {115},
385     Year = {2011},
386     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp111408n},
387     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp111408n}}
388    
389     @article{Lim:2006xq,
390     Author = {Jong Kuk Lim and Ohyun Kwon and Dae Seung Kang and Sang-Woo Joo},
391     Date-Added = {2014-01-20 19:11:44 +0000},
392     Date-Modified = {2014-01-20 19:38:40 +0000},
393     Doi = {http://dx.doi.org/10.1016/j.cplett.2006.03.055},
394     Issn = {0009-2614},
395     Journal = {Chemical Physics Letters},
396     Number = {1--3},
397     Pages = {178 - 182},
398     Title = {Raman spectroscopy study and density functional theory calculations of the nematic liquid crystal 4-n-pentyl-4$^\prime$-cyanobiphenyl under an electric field},
399     Url = {http://www.sciencedirect.com/science/article/pii/S0009261406003873},
400     Volume = {423},
401     Year = {2006},
402     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261406003873},
403     Bdsk-Url-2 = {http://dx.doi.org/10.1016/j.cplett.2006.03.055}}
404    
405     @article{Tucker:2004qq,
406     Author = {Tucker, Matthew J. and Getahun, Zelleka and Nanda, Vikas and DeGrado, William F. and Gai, Feng},
407     Date-Added = {2014-01-20 19:10:42 +0000},
408     Date-Modified = {2014-01-20 19:10:45 +0000},
409     Doi = {10.1021/ja032015d},
410     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja032015d},
411     Journal = {Journal of the American Chemical Society},
412     Number = {16},
413     Pages = {5078-5079},
414     Title = {A New Method for Determining the Local Environment and Orientation of Individual Side Chains of Membrane-Binding Peptides},
415     Url = {http://pubs.acs.org/doi/abs/10.1021/ja032015d},
416     Volume = {126},
417     Year = {2004},
418     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja032015d},
419     Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja032015d}}
420    
421     @article{Webb:2008kn,
422     Author = {Webb, Lauren J. and Boxer, Steven G.},
423     Date-Added = {2014-01-20 19:09:37 +0000},
424     Date-Modified = {2014-01-20 19:38:19 +0000},
425     Doi = {10.1021/bi701708u},
426     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/bi701708u},
427     Journal = {Biochemistry},
428     Note = {PMID: 18205401},
429     Number = {6},
430     Pages = {1588-1598},
431     Title = {Electrostatic Fields Near the Active Site of Human Aldose Reductase: 1. New Inhibitors and Vibrational Stark Effect Measurements},
432     Url = {http://pubs.acs.org/doi/abs/10.1021/bi701708u},
433     Volume = {47},
434     Year = {2008},
435     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/bi701708u},
436     Bdsk-Url-2 = {http://dx.doi.org/10.1021/bi701708u}}
437    
438     @article{Boxer:2009xw,
439     Author = {Boxer, Steven G.},
440     Date-Added = {2014-01-20 19:07:47 +0000},
441     Date-Modified = {2014-01-20 19:37:48 +0000},
442     Doi = {10.1021/jp8067393},
443     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8067393},
444     Journal = {The Journal of Physical Chemistry B},
445     Number = {10},
446     Pages = {2972-2983},
447     Title = {Stark Realities},
448     Url = {http://pubs.acs.org/doi/abs/10.1021/jp8067393},
449     Volume = {113},
450     Year = {2009},
451     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp8067393},
452     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp8067393}}
453    
454     @article{Hatta:1991ee,
455     Author = {A. Hatta and H. Amano and W. Su{\"e}taka},
456     Date-Added = {2014-01-20 19:05:00 +0000},
457     Date-Modified = {2014-01-20 19:05:03 +0000},
458     Doi = {http://dx.doi.org/10.1016/0924-2031(91)80006-A},
459     Issn = {0924-2031},
460     Journal = {Vibrational Spectroscopy},
461     Keywords = {Liquid crystals},
462     Number = {4},
463     Pages = {371 - 376},
464     Title = {Electric field response of 5CB liquid crystal molecules in the electrode boundary region as probed by modulation infrared \{ATR\} spectroscopy},
465     Url = {http://www.sciencedirect.com/science/article/pii/092420319180006A},
466     Volume = {1},
467     Year = {1991},
468     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/092420319180006A},
469     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0924-2031(91)80006-A}}
470    
471     @incollection{Prost:1980wt,
472     Author = {Prost, J.},
473     Booktitle = {Liquid Crystals of One- and Two-Dimensional Order},
474     Date-Added = {2014-01-20 19:01:37 +0000},
475     Date-Modified = {2014-01-20 19:01:41 +0000},
476     Doi = {10.1007/978-3-642-67848-6_29},
477     Editor = {Helfrich, W. and Heppke, G.},
478     Isbn = {978-3-642-67850-9},
479     Language = {English},
480     Pages = {125-145},
481     Publisher = {Springer Berlin Heidelberg},
482     Series = {Springer Series in Chemical Physics},
483     Title = {Reflections on the Reentrant Nematic and the SA-SA Phase Transitions},
484     Url = {http://dx.doi.org/10.1007/978-3-642-67848-6_29},
485     Volume = {11},
486     Year = {1980},
487     Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-67848-6_29}}
488    
489     @article{HARDOUIN:1983qf,
490     Author = {HARDOUIN, F and LEVELUT, AM and ACHARD, MF and SIGAUD, G},
491     Date-Added = {2014-01-20 18:56:21 +0000},
492     Date-Modified = {2014-01-20 18:56:21 +0000},
493     Issn = {{0021-7689}},
494     Journal = {{JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE}},
495     Number = {{1}},
496     Pages = {{53-64}},
497     Title = {{POLYMORPHISM IN POLAR MESOGENS .1. PHYSICO-CHEMISTRY AND STRUCTURAL ASPECTS}},
498     Unique-Id = {{ISI:A1983QJ60700008}},
499     Volume = {{80}},
500     Year = {{1983}}}
501    
502     @article{Leadbetter:1976vf,
503     Author = {Leadbetter, A. J. and Durrant, J. L. A. and Rugman, M.},
504     Date-Added = {2014-01-20 18:54:50 +0000},
505     Date-Modified = {2014-01-20 18:54:54 +0000},
506     Doi = {10.1080/15421407708083712},
507     Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/15421407708083712},
508     Journal = {Molecular Crystals and Liquid Crystals},
509     Number = {10},
510     Pages = {231-235},
511     Title = {The Density Of 4 n-Octyl-4-Cyano-Biphenyl (8CB)},
512     Url = {http://www.tandfonline.com/doi/abs/10.1080/15421407708083712},
513     Volume = {34},
514     Year = {1976},
515     Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/15421407708083712},
516     Bdsk-Url-2 = {http://dx.doi.org/10.1080/15421407708083712}}
517    
518     @book{Gray:1984hc,
519     Author = {Gray, G.W. and Goodby, J.W.G.},
520     Date-Added = {2014-01-20 18:39:08 +0000},
521     Date-Modified = {2014-01-20 18:39:08 +0000},
522     Isbn = {9780249441680},
523     Lccn = {lc84164554},
524     Publisher = {L. Hill},
525     Title = {Smectic liquid crystals: textures and structures},
526     Url = {http://books.google.com/books?id=WgTwAAAAMAAJ},
527     Year = {1984},
528     Bdsk-Url-1 = {http://books.google.com/books?id=WgTwAAAAMAAJ}}
529    
530     @article{Vanakaras:1998it,
531     Author = {Vanakaras, Alexandros G. and Photinos, Demetri J. and Samulski, Edward T.},
532     Date-Added = {2014-01-20 18:37:13 +0000},
533     Date-Modified = {2014-01-20 18:37:15 +0000},
534     Doi = {10.1103/PhysRevE.57.R4875},
535     Issue = {5},
536     Journal = {Phys. Rev. E},
537     Month = {May},
538     Numpages = {0},
539     Pages = {R4875--R4878},
540     Publisher = {American Physical Society},
541     Title = {Tilt, polarity, and spontaneous symmetry breaking in liquid crystals},
542     Url = {http://link.aps.org/doi/10.1103/PhysRevE.57.R4875},
543     Volume = {57},
544     Year = {1998},
545     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.57.R4875},
546     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.57.R4875}}
547    
548     @article{Prost:1984qe,
549     Author = {Prost, J.},
550     Date-Added = {2014-01-20 18:36:25 +0000},
551     Date-Modified = {2014-01-20 18:36:29 +0000},
552     Doi = {10.1080/00018738400101631},
553     Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/00018738400101631},
554     Journal = {Advances in Physics},
555     Number = {1},
556     Pages = {1-46},
557     Title = {The smectic state},
558     Url = {http://www.tandfonline.com/doi/abs/10.1080/00018738400101631},
559     Volume = {33},
560     Year = {1984},
561     Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/00018738400101631},
562     Bdsk-Url-2 = {http://dx.doi.org/10.1080/00018738400101631}}
563    
564     @article{Photinos:1976xe,
565     Author = {Photinos, Panagoitis J. and Saupe, Alfred},
566     Date-Added = {2014-01-20 18:34:10 +0000},
567     Date-Modified = {2014-01-20 18:34:14 +0000},
568     Doi = {10.1103/PhysRevA.13.1926},
569     Issue = {5},
570     Journal = {Phys. Rev. A},
571     Month = {May},
572     Numpages = {0},
573     Pages = {1926--1930},
574     Publisher = {American Physical Society},
575     Title = {Mean-field study of uniaxial smectic liquid crystals with polarized layers},
576     Url = {http://link.aps.org/doi/10.1103/PhysRevA.13.1926},
577     Volume = {13},
578     Year = {1976},
579     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.13.1926},
580     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.13.1926}}
581    
582     @article{Netz:1992cr,
583     Author = {Netz, Roland R. and Berker, A. Nihat},
584     Date-Added = {2014-01-20 18:33:40 +0000},
585     Date-Modified = {2014-01-20 18:33:43 +0000},
586     Doi = {10.1103/PhysRevLett.68.333},
587     Issue = {3},
588     Journal = {Phys. Rev. Lett.},
589     Month = {Jan},
590     Numpages = {0},
591     Pages = {333--336},
592     Publisher = {American Physical Society},
593     Title = {Smectic-<i>C</i> order, in-plane domains, and nematic reentrance in a microscopic model of liquid crystals},
594     Url = {http://link.aps.org/doi/10.1103/PhysRevLett.68.333},
595     Volume = {68},
596     Year = {1992},
597     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.68.333},
598     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.68.333}}
599    
600     @article{Meyer:1976qd,
601     Author = {Meyer, Robert B. and Lubensky, T. C.},
602     Date-Added = {2014-01-20 18:33:13 +0000},
603     Date-Modified = {2014-01-20 19:12:04 +0000},
604     Doi = {10.1103/PhysRevA.14.2307},
605     Issue = {6},
606     Journal = {Phys. Rev. A},
607     Month = {Dec},
608     Numpages = {0},
609     Pages = {2307--2320},
610     Publisher = {American Physical Society},
611     Title = {Mean-field theory of the nematic-smectic-A phase change in liquid crystals},
612     Url = {http://link.aps.org/doi/10.1103/PhysRevA.14.2307},
613     Volume = {14},
614     Year = {1976},
615     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.14.2307},
616     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.14.2307}}
617    
618     @article{Levesque:1993pd,
619     Author = {Levesque, D. and Weis, J. J. and Zarragoicoechea, G. J.},
620     Date-Added = {2014-01-20 18:32:43 +0000},
621     Date-Modified = {2014-01-20 18:32:45 +0000},
622     Doi = {10.1103/PhysRevE.47.496},
623     Issue = {1},
624     Journal = {Phys. Rev. E},
625     Month = {Jan},
626     Numpages = {0},
627     Pages = {496--505},
628     Publisher = {American Physical Society},
629     Title = {Monte Carlo simulation study of mesophase formation in dipolar spherocylinders},
630     Url = {http://link.aps.org/doi/10.1103/PhysRevE.47.496},
631     Volume = {47},
632     Year = {1993},
633     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.47.496},
634     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.47.496}}
635    
636     @article{Levelut:1981eu,
637     Author = {Levelut, A. M. and Tarento, R. J. and Hardouin, F. and Achard, M. F. and Sigaud, G.},
638     Date-Added = {2014-01-20 18:32:07 +0000},
639     Date-Modified = {2014-01-20 18:49:25 +0000},
640     Doi = {10.1103/PhysRevA.24.2180},
641     Issue = {4},
642     Journal = {Phys. Rev. A},
643     Month = {Oct},
644     Numpages = {0},
645     Pages = {2180--2186},
646     Publisher = {American Physical Society},
647     Title = {Number of SA phases},
648     Url = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
649     Volume = {24},
650     Year = {1981},
651     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
652     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.24.2180}}
653    
654     @article{Jeu:1983ly,
655     Abstract = {The physical properties and the phase behaviour of some nematic liquid crystals are discussed, with emphasis on the influence of short-range antiparallel dipole correlation that occurs in mesogenic compounds with a strong terminal dipole moment. Evidence for this effect, which stems especially from dielectric studies, is summarized. Variations of the dipole correlation with molecular structure can explain the sometimes unexpected phase behaviour and physical properties of these substances. A qualitative model is given in terms of a monomer--dimer equilibrium.},
656     Author = {Jeu, W. H. De and Raynes, E. P. and Price, A. H. and Clark, M. G.},
657     Date-Added = {2014-01-20 18:30:36 +0000},
658     Date-Modified = {2014-01-20 18:30:39 +0000},
659     Doi = {10.1098/rsta.1983.0035},
660     Eprint = {http://rsta.royalsocietypublishing.org/content/309/1507/217.full.pdf+html},
661     Journal = {Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences},
662     Number = {1507},
663     Pages = {217-229},
664     Title = {Liquid Crystalline Materials: Physical Properties and Intermolecular Interactions [and Discussion]},
665     Url = {http://rsta.royalsocietypublishing.org/content/309/1507/217.abstract},
666     Volume = {309},
667     Year = {1983},
668     Bdsk-Url-1 = {http://rsta.royalsocietypublishing.org/content/309/1507/217.abstract},
669     Bdsk-Url-2 = {http://dx.doi.org/10.1098/rsta.1983.0035}}
670    
671     @article{Indekeu:1986ty,
672     Author = {Indekeu, J. O. and Berker, A. Nihat},
673     Date-Added = {2014-01-20 18:27:51 +0000},
674     Date-Modified = {2014-01-20 18:50:31 +0000},
675     Doi = {10.1103/PhysRevA.33.1158},
676     Issue = {2},
677     Journal = {Phys. Rev. A},
678     Month = {Feb},
679     Numpages = {0},
680     Pages = {1158--1162},
681     Publisher = {American Physical Society},
682     Title = {Quadruple reentrance (nematic-smectic-Ad-nematic-smectic-Ad-nematic-smectic-A1) from the frustrated spin-gas model of liquid crystals},
683     Url = {http://link.aps.org/doi/10.1103/PhysRevA.33.1158},
684     Volume = {33},
685     Year = {1986},
686     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.33.1158},
687     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.33.1158}}
688    
689     @incollection{Hardouin:1980yq,
690     Author = {Hardouin, F. and Levelut, A.M. and Benattar, J.J. and Sigaud, G.},
691     Booktitle = {Liquid Crystals of One- and Two-Dimensional Order},
692     Date-Added = {2014-01-20 18:26:57 +0000},
693     Date-Modified = {2014-01-20 18:26:59 +0000},
694     Doi = {10.1007/978-3-642-67848-6_31},
695     Editor = {Helfrich, W. and Heppke, G.},
696     Isbn = {978-3-642-67850-9},
697     Language = {English},
698     Pages = {147-147},
699     Publisher = {Springer Berlin Heidelberg},
700     Series = {Springer Series in Chemical Physics},
701     Title = {X-Ray Investigations of the Smectic A1 --- Smectic A2 Transition},
702     Url = {http://dx.doi.org/10.1007/978-3-642-67848-6_31},
703     Volume = {11},
704     Year = {1980},
705     Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-67848-6_31}}
706    
707     @article{Dowell:1985qf,
708     Author = {Dowell, F.},
709     Date-Added = {2014-01-20 18:25:24 +0000},
710     Date-Modified = {2014-01-20 18:25:26 +0000},
711     Doi = {10.1103/PhysRevA.31.3214},
712     Issue = {5},
713     Journal = {Phys. Rev. A},
714     Month = {May},
715     Numpages = {0},
716     Pages = {3214--3219},
717     Publisher = {American Physical Society},
718     Title = {Effect of longitudinal dipoles in liquid crystals},
719     Url = {http://link.aps.org/doi/10.1103/PhysRevA.31.3214},
720     Volume = {31},
721     Year = {1985},
722     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.31.3214},
723     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.31.3214}}
724    
725     @article{Baus:1989fk,
726     Author = {Baus, Marc and Colot, Jean-Louis},
727     Date-Added = {2014-01-20 18:24:36 +0000},
728     Date-Modified = {2014-01-20 18:24:39 +0000},
729     Doi = {10.1103/PhysRevA.40.5444},
730     Issue = {9},
731     Journal = {Phys. Rev. A},
732     Month = {Nov},
733     Numpages = {0},
734     Pages = {5444--5446},
735     Publisher = {American Physical Society},
736     Title = {Ferroelectric nematic liquid-crystal phases of dipolar hard ellipsoids},
737     Url = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
738     Volume = {40},
739     Year = {1989},
740     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
741     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.40.5444}}