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9  
10  
11  
12 + @article{C3AN01651J,
13 +        Abstract = {In recent years{,} major developments in scanning electrochemical microscopy (SECM) have significantly broadened the application range of this electroanalytical technique from high-resolution electrochemical imaging via nanoscale probes to large scale mapping using arrays of microelectrodes. A major driving force in advancing the SECM methodology is based on developing more sophisticated probes beyond conventional micro-disc electrodes usually based on noble metals or carbon microwires. This critical review focuses on the design and development of advanced electrochemical probes particularly enabling combinations of SECM with other analytical measurement techniques to provide information beyond exclusively measuring electrochemical sample properties. Consequently{,} this critical review will focus on recent progress and new developments towards multifunctional imaging.},
14 +        Author = {Kranz, Christine},
15 +        Date-Added = {2014-02-27 19:40:33 +0000},
16 +        Date-Modified = {2014-02-27 19:40:33 +0000},
17 +        Doi = {10.1039/C3AN01651J},
18 +        Issue = {2},
19 +        Journal = {Analyst},
20 +        Pages = {336-352},
21 +        Publisher = {The Royal Society of Chemistry},
22 +        Title = {Recent advancements in nanoelectrodes and nanopipettes used in combined scanning electrochemical microscopy techniques},
23 +        Url = {http://dx.doi.org/10.1039/C3AN01651J},
24 +        Volume = {139},
25 +        Year = {2014},
26 +        Bdsk-Url-1 = {http://dx.doi.org/10.1039/C3AN01651J}}
27 +
28 + @article{Kojima19881789,
29 +        Author = {Hiroyuki Kojima and Yasushi Takagi and Hiroki Teramoto},
30 +        Date-Added = {2014-02-27 19:25:16 +0000},
31 +        Date-Modified = {2014-02-27 19:25:16 +0000},
32 +        Doi = {http://dx.doi.org/10.1016/0013-4686(88)85016-3},
33 +        Issn = {0013-4686},
34 +        Journal = {Electrochimica Acta},
35 +        Number = {12},
36 +        Pages = {1789 - 1793},
37 +        Title = {Electrochemiluminescence in liquid crystals},
38 +        Url = {http://www.sciencedirect.com/science/article/pii/0013468688850163},
39 +        Volume = {33},
40 +        Year = {1988},
41 +        Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0013468688850163},
42 +        Bdsk-Url-2 = {http://dx.doi.org/10.1016/0013-4686(88)85016-3}}
43 +
44 + @article{Berne:1972pb,
45 +        Author = {Berne, Bruce J. and Pechukas, Philip},
46 +        Date-Added = {2014-02-21 18:28:49 +0000},
47 +        Date-Modified = {2014-02-21 18:28:49 +0000},
48 +        Doi = {http://dx.doi.org/10.1063/1.1677837},
49 +        Journal = {J. Chem. Phys.},
50 +        Number = {8},
51 +        Pages = {4213-4216},
52 +        Title = {Gaussian Model Potentials for Molecular Interactions},
53 +        Url = {http://scitation.aip.org/content/aip/journal/jcp/56/8/10.1063/1.1677837},
54 +        Volume = {56},
55 +        Year = {1972},
56 +        Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/56/8/10.1063/1.1677837},
57 +        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1677837}}
58 +
59 + @article{Luckhurst:1990fy,
60 +        Author = {Luckhurst, G. R. and Stephens, R. A. and Phippen, R. W.},
61 +        Date-Added = {2014-02-21 18:27:10 +0000},
62 +        Date-Modified = {2014-02-21 18:27:10 +0000},
63 +        Doi = {10.1080/02678299008047361},
64 +        Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/02678299008047361},
65 +        Journal = {Liquid Crystals},
66 +        Number = {4},
67 +        Pages = {451-464},
68 +        Title = {Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogen},
69 +        Url = {http://www.tandfonline.com/doi/abs/10.1080/02678299008047361},
70 +        Volume = {8},
71 +        Year = {1990},
72 +        Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/02678299008047361},
73 +        Bdsk-Url-2 = {http://dx.doi.org/10.1080/02678299008047361}}
74 +
75 + @article{Auer:2007dp,
76 +        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.},
77 +        Author = {Auer, B. and Kumar, R. and Schmidt, J. R. and Skinner, J. L.},
78 +        Date-Added = {2014-02-21 18:20:31 +0000},
79 +        Date-Modified = {2014-02-21 18:31:54 +0000},
80 +        Doi = {10.1073/pnas.0701482104},
81 +        Eprint = {http://www.pnas.org/content/104/36/14215.full.pdf+html},
82 +        Journal = {Proc. Natl. Acad. Sci. USA},
83 +        Number = {36},
84 +        Pages = {14215-14220},
85 +        Title = {Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute \ce{HOD} in liquid \ce{D2O}},
86 +        Url = {http://www.pnas.org/content/104/36/14215.abstract},
87 +        Volume = {104},
88 +        Year = {2007},
89 +        Bdsk-Url-1 = {http://www.pnas.org/content/104/36/14215.abstract},
90 +        Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0701482104}}
91 +
92 + @article{Corcelli:2004ai,
93 +        Author = {Corcelli, S. A. and Lawrence, C. P. and Skinner, J. L.},
94 +        Date-Added = {2014-02-21 18:18:50 +0000},
95 +        Date-Modified = {2014-02-21 18:32:22 +0000},
96 +        Doi = {http://dx.doi.org/10.1063/1.1683072},
97 +        Journal = {J. Chem. Phys.},
98 +        Number = {17},
99 +        Pages = {8107-8117},
100 +        Title = {Combined electronic structure/molecular dynamics approach for ultrafast infrared spectroscopy of dilute \ce{HOD} in liquid \ce{H2O} and \ce{D2O}},
101 +        Url = {http://scitation.aip.org/content/aip/journal/jcp/120/17/10.1063/1.1683072},
102 +        Volume = {120},
103 +        Year = {2004},
104 +        Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/120/17/10.1063/1.1683072},
105 +        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1683072}}
106 +
107 + @article{Morales:2009fp,
108 +        Author = {Morales, Christine M. and Thompson, Ward H.},
109 +        Date-Added = {2014-02-21 17:59:53 +0000},
110 +        Date-Modified = {2014-04-01 19:42:20 +0000},
111 +        Doi = {10.1021/jp8072969},
112 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8072969},
113 +        Journal = {J. Phys. Chem. A},
114 +        Number = {10},
115 +        Pages = {1922-1933},
116 +        Title = {Simulations of Infrared Spectra of Nanoconfined Liquids: Acetonitrile Confined in Nanoscale, Hydrophilic Silica Pores},
117 +        Url = {http://pubs.acs.org/doi/abs/10.1021/jp8072969},
118 +        Volume = {113},
119 +        Year = {2009},
120 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp8072969},
121 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp8072969}}
122 +
123 + @article{Bose:2012eu,
124 +        Author = {Bose, Tushar Kanti and Saha, Jayashree},
125 +        Date-Added = {2014-02-21 14:00:07 +0000},
126 +        Date-Modified = {2014-02-21 14:00:07 +0000},
127 +        Doi = {10.1103/PhysRevE.86.050701},
128 +        Issue = {5},
129 +        Journal = {Phys. Rev. E},
130 +        Month = {Nov},
131 +        Numpages = {4},
132 +        Pages = {050701},
133 +        Publisher = {American Physical Society},
134 +        Title = {Origin of tilted-phase generation in systems of ellipsoidal molecules with dipolar interactions},
135 +        Url = {http://link.aps.org/doi/10.1103/PhysRevE.86.050701},
136 +        Volume = {86},
137 +        Year = {2012},
138 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.86.050701},
139 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.86.050701}}
140 +
141 + @article{FILLER:1964yg,
142 +        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.},
143 +        Author = {A. S. Filler},
144 +        Date-Added = {2014-02-20 18:13:39 +0000},
145 +        Date-Modified = {2014-02-21 18:31:22 +0000},
146 +        Doi = {10.1364/JOSA.54.000762},
147 +        Journal = {J. Opt. Soc. Am.},
148 +        Month = {Jun},
149 +        Number = {6},
150 +        Pages = {762--764},
151 +        Publisher = {OSA},
152 +        Title = {Apodization and Interpolation in Fourier-Transform Spectroscopy},
153 +        Url = {http://www.opticsinfobase.org/abstract.cfm?URI=josa-54-6-762},
154 +        Volume = {54},
155 +        Year = {1964},
156 +        Bdsk-Url-1 = {http://www.opticsinfobase.org/abstract.cfm?URI=josa-54-6-762},
157 +        Bdsk-Url-2 = {http://dx.doi.org/10.1364/JOSA.54.000762}}
158 +
159 + @article{Naylor:2007rm,
160 +        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.},
161 +        Author = {David A. Naylor and Margaret K. Tahic},
162 +        Date-Added = {2014-02-20 16:45:24 +0000},
163 +        Date-Modified = {2014-02-20 16:45:24 +0000},
164 +        Doi = {10.1364/JOSAA.24.003644},
165 +        Journal = {J. Opt. Soc. Am. A},
166 +        Keywords = {Linewidth; Spectroscopy, Fourier transforms},
167 +        Month = {Nov},
168 +        Number = {11},
169 +        Pages = {3644--3648},
170 +        Publisher = {OSA},
171 +        Title = {Apodizing functions for Fourier transform spectroscopy},
172 +        Url = {http://josaa.osa.org/abstract.cfm?URI=josaa-24-11-3644},
173 +        Volume = {24},
174 +        Year = {2007},
175 +        Bdsk-Url-1 = {http://josaa.osa.org/abstract.cfm?URI=josaa-24-11-3644},
176 +        Bdsk-Url-2 = {http://dx.doi.org/10.1364/JOSAA.24.003644}}
177 +
178 + @article{Morse:1929xy,
179 +        Author = {Morse, Philip M.},
180 +        Date-Added = {2014-02-19 21:18:41 +0000},
181 +        Date-Modified = {2014-02-19 21:18:43 +0000},
182 +        Doi = {10.1103/PhysRev.34.57},
183 +        Issue = {1},
184 +        Journal = {Phys. Rev.},
185 +        Month = {Jul},
186 +        Numpages = {0},
187 +        Pages = {57--64},
188 +        Publisher = {American Physical Society},
189 +        Title = {Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels},
190 +        Url = {http://link.aps.org/doi/10.1103/PhysRev.34.57},
191 +        Volume = {34},
192 +        Year = {1929},
193 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRev.34.57},
194 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRev.34.57}}
195 +
196 + @article{Lee:1988qf,
197 +        Author = {Lee, Chengteh and Yang, Weitao and Parr, Robert G.},
198 +        Date-Added = {2014-02-19 21:03:16 +0000},
199 +        Date-Modified = {2014-02-19 21:03:19 +0000},
200 +        Doi = {10.1103/PhysRevB.37.785},
201 +        Issue = {2},
202 +        Journal = {Phys. Rev. B},
203 +        Month = {Jan},
204 +        Numpages = {0},
205 +        Pages = {785--789},
206 +        Publisher = {American Physical Society},
207 +        Title = {Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density},
208 +        Url = {http://link.aps.org/doi/10.1103/PhysRevB.37.785},
209 +        Volume = {37},
210 +        Year = {1988},
211 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.37.785},
212 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.37.785}}
213 +
214 + @article{Becke:1993kq,
215 +        Author = {Becke, Axel D.},
216 +        Date-Added = {2014-02-19 21:02:30 +0000},
217 +        Date-Modified = {2014-02-21 18:30:55 +0000},
218 +        Doi = {http://dx.doi.org/10.1063/1.464913},
219 +        Journal = {J. Chem. Phys.},
220 +        Number = {7},
221 +        Pages = {5648-5652},
222 +        Title = {Density-functional thermochemistry. III. The role of exact exchange},
223 +        Url = {http://scitation.aip.org/content/aip/journal/jcp/98/7/10.1063/1.464913},
224 +        Volume = {98},
225 +        Year = {1993},
226 +        Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/98/7/10.1063/1.464913},
227 +        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.464913}}
228 +
229 + @book{Collings:1997rz,
230 +        Author = {Collings, P.J. and Hird, M.},
231 +        Date-Added = {2014-02-18 21:05:20 +0000},
232 +        Date-Modified = {2014-02-18 21:05:20 +0000},
233 +        Isbn = {9780203211199},
234 +        Publisher = {Taylor \& Francis},
235 +        Series = {Liquid Crystals Book Series},
236 +        Title = {Introduction to Liquid Crystals: Chemistry and Physics},
237 +        Url = {http://books.google.com/books?id=GBeDkKpZ5VQC},
238 +        Year = {1997},
239 +        Bdsk-Url-1 = {http://books.google.com/books?id=GBeDkKpZ5VQC}}
240 +
241 + @article{Cleaver:1996rt,
242 +        Author = {Cleaver, Douglas J. and Care, Christopher M. and Allen, Michael P. and Neal, Maureen P.},
243 +        Date-Added = {2014-02-18 21:01:40 +0000},
244 +        Date-Modified = {2014-02-18 21:01:42 +0000},
245 +        Doi = {10.1103/PhysRevE.54.559},
246 +        Issue = {1},
247 +        Journal = {Phys. Rev. E},
248 +        Month = {Jul},
249 +        Numpages = {0},
250 +        Pages = {559--567},
251 +        Publisher = {American Physical Society},
252 +        Title = {Extension and generalization of the Gay-Berne potential},
253 +        Url = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
254 +        Volume = {54},
255 +        Year = {1996},
256 +        Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.54.559},
257 +        Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.54.559}}
258 +
259 + @article{Kushick:1976xy,
260 +        Author = {Kushick, J. and Berne, Bruce J.},
261 +        Date-Added = {2014-02-18 21:00:21 +0000},
262 +        Date-Modified = {2014-02-18 21:00:21 +0000},
263 +        Doi = {http://dx.doi.org/10.1063/1.432403},
264 +        Journal = {J. Chem. Phys.},
265 +        Number = {4},
266 +        Pages = {1362-1367},
267 +        Title = {Computer simulation of anisotropic molecular fluids},
268 +        Url = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
269 +        Volume = {64},
270 +        Year = {1976},
271 +        Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/64/4/10.1063/1.432403},
272 +        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.432403}}
273 +
274 + @article{Gay:1981yu,
275 +        Author = {Gay, J. G. and Berne, B. J.},
276 +        Date-Added = {2014-02-18 20:57:16 +0000},
277 +        Date-Modified = {2014-02-18 20:57:16 +0000},
278 +        Doi = {http://dx.doi.org/10.1063/1.441483},
279 +        Journal = {J. Chem. Phys.},
280 +        Number = {6},
281 +        Pages = {3316-3319},
282 +        Title = {Modification of the overlap potential to mimic a linear site--site potential},
283 +        Url = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
284 +        Volume = {74},
285 +        Year = {1981},
286 +        Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
287 +        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.441483}}
288 +
289 + @article{Choi:2008cr,
290 +        Author = {Choi, Jun-Ho and Oh, Kwang-Im and Lee, Hochan and Lee, Chewook and Cho, Minhaeng},
291 +        Date-Added = {2014-02-18 18:20:28 +0000},
292 +        Date-Modified = {2014-02-21 18:34:13 +0000},
293 +        Doi = {http://dx.doi.org/10.1063/1.2844787},
294 +        Eid = 134506,
295 +        Journal = {J. Chem. Phys.},
296 +        Number = {13},
297 +        Pages = {134506},
298 +        Title = {Nitrile and thiocyanate IR probes: Quantum chemistry calculation studies and multivariate least-square fitting analysis},
299 +        Url = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
300 +        Volume = {128},
301 +        Year = {2008},
302 +        Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
303 +        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2844787}}
304 +
305 + @article{Fafarman:2010dq,
306 +        Author = {Fafarman, Aaron T. and Sigala, Paul A. and Herschlag, Daniel and Boxer, Steven G.},
307 +        Date-Added = {2014-02-18 18:13:20 +0000},
308 +        Date-Modified = {2014-02-18 18:13:20 +0000},
309 +        Doi = {10.1021/ja104573b},
310 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja104573b},
311 +        Journal = {J. Am. Chem. Soc.},
312 +        Number = {37},
313 +        Pages = {12811-12813},
314 +        Title = {Decomposition of Vibrational Shifts of Nitriles into Electrostatic and Hydrogen-Bonding Effects},
315 +        Url = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
316 +        Volume = {132},
317 +        Year = {2010},
318 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja104573b},
319 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja104573b}}
320 +
321 + @article{Lindquist:2008bh,
322 +        Author = {Lindquist, Beth A. and Haws, Ryan T. and Corcelli, Steven A.},
323 +        Date-Added = {2014-02-18 16:27:15 +0000},
324 +        Date-Modified = {2014-04-01 19:42:06 +0000},
325 +        Doi = {10.1021/jp804900u},
326 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804900u},
327 +        Journal = {J. Phys. Chem. B},
328 +        Number = {44},
329 +        Pages = {13991-14001},
330 +        Title = {Optimized Quantum Mechanics/Molecular Mechanics Strategies for Nitrile Vibrational Probes: Acetonitrile and para-Tolunitrile in Water and Tetrahydrofuran},
331 +        Url = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
332 +        Volume = {112},
333 +        Year = {2008},
334 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804900u},
335 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804900u}}
336 +
337 + @article{Lindquist:2008qf,
338 +        Author = {Lindquist, Beth A. and Corcelli, Steven A.},
339 +        Date-Added = {2014-02-18 16:26:29 +0000},
340 +        Date-Modified = {2014-04-01 19:42:14 +0000},
341 +        Doi = {10.1021/jp802039e},
342 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp802039e},
343 +        Journal = {J. Phys. Chem. B},
344 +        Number = {20},
345 +        Pages = {6301-6303},
346 +        Title = {Nitrile Groups as Vibrational Probes: Calculations of the CN Infrared Absorption Line Shape of Acetonitrile in Water and Tetrahydrofuran},
347 +        Url = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
348 +        Volume = {112},
349 +        Year = {2008},
350 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
351 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp802039e}}
352 +
353 + @article{Waegele:2010ve,
354 +        Author = {Waegele, Matthias M. and Gai, Feng},
355 +        Date-Added = {2014-02-18 16:24:37 +0000},
356 +        Date-Modified = {2014-02-18 16:24:37 +0000},
357 +        Doi = {10.1021/jz900429z},
358 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jz900429z},
359 +        Journal = {J. Phys. Chem. Lett.},
360 +        Number = {4},
361 +        Pages = {781-786},
362 +        Title = {Computational Modeling of the Nitrile Stretching Vibration of 5-Cyanoindole in Water},
363 +        Url = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
364 +        Volume = {1},
365 +        Year = {2010},
366 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jz900429z},
367 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jz900429z}}
368 +
369 + @article{Leyte:1997zl,
370 +        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.},
371 +        Author = {J. C. Leyte and P. C. M. Van Woerkom},
372 +        Date-Added = {2014-02-18 16:19:03 +0000},
373 +        Date-Modified = {2014-02-21 18:35:10 +0000},
374 +        Journal = {Appl. Spectrosc.},
375 +        Month = {Nov},
376 +        Number = {11},
377 +        Pages = {1711--1714},
378 +        Publisher = {OSA},
379 +        Title = {FT-IR TRS of Liquid Crystalline 5CB in AC, DC, and AC $+$ DC Electric Fields},
380 +        Url = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711},
381 +        Volume = {51},
382 +        Year = {1997},
383 +        Bdsk-Url-1 = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711}}
384 +
385 + @article{Moreno-Razo:2012rz,
386 +        Annote = {10.1038/nature11084},
387 +        Author = {Moreno-Razo, J. A. and Sambriski, E. J. and Abbott, N. L. and Hernandez-Ortiz, J. P. and de Pablo, J. J.},
388 +        Date = {2012/05/03/print},
389 +        Date-Added = {2014-02-18 16:07:15 +0000},
390 +        Date-Modified = {2014-02-18 16:07:15 +0000},
391 +        Day = {03},
392 +        Isbn = {0028-0836},
393 +        Journal = {Nature},
394 +        L3 = {http://www.nature.com/nature/journal/v485/n7396/abs/nature11084.html#supplementary-information},
395 +        M3 = {10.1038/nature11084},
396 +        Month = {05},
397 +        Number = {7396},
398 +        Pages = {86--89},
399 +        Publisher = {Nature Publishing Group, a division of Macmillan Publishers Limited. All Rights Reserved.},
400 +        Title = {Liquid-crystal-mediated self-assembly at nanodroplet interfaces},
401 +        Ty = {JOUR},
402 +        Url = {http://dx.doi.org/10.1038/nature11084},
403 +        Volume = {485},
404 +        Year = {2012},
405 +        Bdsk-Url-1 = {http://dx.doi.org/10.1038/nature11084}}
406 +
407 + @article{Schkolnik:2012ty,
408 +        Author = {Schkolnik, Gal and Salewski, Johannes and Millo, Diego and Zebger, Ingo and Franzen, Stefan and Hildebrandt, Peter},
409 +        Date-Added = {2014-02-18 15:43:30 +0000},
410 +        Date-Modified = {2014-02-18 15:43:30 +0000},
411 +        Doi = {10.3390/ijms13067466},
412 +        Issn = {1422-0067},
413 +        Journal = {Int. J. Mol. Sci.},
414 +        Number = {6},
415 +        Pages = {7466--7482},
416 +        Pubmedid = {22837705},
417 +        Title = {Vibrational Stark Effect of the Electric-Field Reporter 4-Mercaptobenzonitrile as a Tool for Investigating Electrostatics at Electrode/SAM/Solution Interfaces},
418 +        Url = {http://www.mdpi.com/1422-0067/13/6/7466},
419 +        Volume = {13},
420 +        Year = {2012},
421 +        Bdsk-Url-1 = {http://www.mdpi.com/1422-0067/13/6/7466},
422 +        Bdsk-Url-2 = {http://dx.doi.org/10.3390/ijms13067466}}
423 +
424 + @article{Andrews:2000qv,
425 +        Author = {Andrews, Steven S. and Boxer, Steven G.},
426 +        Date-Added = {2014-02-18 15:39:01 +0000},
427 +        Date-Modified = {2014-02-18 15:39:01 +0000},
428 +        Doi = {10.1021/jp002242r},
429 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp002242r},
430 +        Journal = {J. Phys. Chem. A},
431 +        Number = {51},
432 +        Pages = {11853-11863},
433 +        Title = {Vibrational Stark Effects of Nitriles I. Methods and Experimental Results},
434 +        Url = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
435 +        Volume = {104},
436 +        Year = {2000},
437 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp002242r},
438 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp002242r}}
439 +
440 + @article{Oklejas:2002uq,
441 +        Author = {Oklejas, Vanessa and Sjostrom, Chris and Harris, Joel M.},
442 +        Date-Added = {2014-02-18 15:24:01 +0000},
443 +        Date-Modified = {2014-02-18 15:24:01 +0000},
444 +        Doi = {10.1021/ja017656s},
445 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja017656s},
446 +        Journal = {J. Am. Chem. Soc.},
447 +        Number = {11},
448 +        Pages = {2408-2409},
449 +        Title = {SERS Detection of the Vibrational Stark Effect from Nitrile-Terminated SAMs to Probe Electric Fields in the Diffuse Double-Layer},
450 +        Url = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
451 +        Volume = {124},
452 +        Year = {2002},
453 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja017656s},
454 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja017656s}}
455 +
456 + @article{Lindquist:2009fk,
457 +        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.},
458 +        Author = {Lindquist, Beth A. and Furse, Kristina E. and Corcelli, Steven A.},
459 +        Date-Added = {2014-02-18 15:16:38 +0000},
460 +        Date-Modified = {2014-02-18 15:16:38 +0000},
461 +        Doi = {10.1039/B908588B},
462 +        Issue = {37},
463 +        Journal = {Phys. Chem. Chem. Phys.},
464 +        Pages = {8119-8132},
465 +        Publisher = {The Royal Society of Chemistry},
466 +        Title = {Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview},
467 +        Url = {http://dx.doi.org/10.1039/B908588B},
468 +        Volume = {11},
469 +        Year = {2009},
470 +        Bdsk-Url-1 = {http://dx.doi.org/10.1039/B908588B}}
471 +
472 + @article{Meineke05,
473 +        Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
474 +        Date-Added = {2014-02-14 19:21:43 +0000},
475 +        Date-Modified = {2014-02-14 19:21:43 +0000},
476 +        Journal = {J. Comp. Chem.},
477 +        Pages = {252-271},
478 +        Title = {$\mbox{OOPSE: A}$n Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
479 +        Volume = 26,
480 +        Year = 2005}
481 +
482 + @article{Fennell:2006zl,
483 +        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.},
484 +        Address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA},
485 +        Author = {Fennell, Christopher~J. and Gezelter, J.~Daniel},
486 +        Date = {JUN 21 2006},
487 +        Date-Added = {2014-02-14 19:21:36 +0000},
488 +        Date-Modified = {2014-02-14 19:21:36 +0000},
489 +        Doi = {ARTN 234104},
490 +        Journal = {J. Chem. Phys.},
491 +        Pages = {234104},
492 +        Publisher = {AMER INST PHYSICS},
493 +        Timescited = {15},
494 +        Title = {Is the {E}wald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
495 +        Volume = {124},
496 +        Year = {2006},
497 +        Bdsk-Url-1 = {http://dx.doi.org/234104}}
498 +
499   @article{PhysRevLett.111.227801,
500          Author = {Whitmer, Jonathan K. and Wang, Xiaoguang and Mondiot, Frederic and Miller, Daniel S. and Abbott, Nicholas L. and de Pablo, Juan J.},
501          Date-Added = {2014-02-06 20:01:25 +0000},
# Line 33 | Line 520
520          Date-Added = {2014-02-06 18:11:52 +0000},
521          Date-Modified = {2014-02-06 18:11:52 +0000},
522          Doi = {10.1063/1.2904558},
523 <        Journal = {J Chem Phys},
523 >        Journal = {J. Chem. Phys.},
524          Journal-Full = {The Journal of chemical physics},
525          Month = {Apr},
526          Number = {15},
# Line 51 | Line 538
538          Date-Modified = {2014-01-20 19:18:35 +0000},
539          Doi = {10.1049/el:19730096},
540          Issn = {0013-5194},
541 <        Journal = {Electronics Letters},
541 >        Journal = {Electronics Lett.},
542          Keywords = {display systems;electro-optical effects;liquid crystals;displays;nematic liquid crystals;positive dielectric anisotropy},
543          Number = {6},
544          Pages = {130-131},
# Line 59 | Line 546
546          Volume = {9},
547          Year = {1973},
548          Bdsk-Url-1 = {http://dx.doi.org/10.1049/el:19730096}}
62
63 @article{Leyte:97,
64        Abstract = {{\textless}abstract/{\textgreater}},
65        Author = {J. C. Leyte and P. C. M. Van Woerkom},
66        Date-Added = {2014-01-20 19:15:28 +0000},
67        Date-Modified = {2014-01-20 19:15:28 +0000},
68        Journal = {Appl. Spectrosc.},
69        Month = {Feb},
70        Number = {2},
71        Pages = {283--284},
72        Publisher = {OSA},
73        Title = {Electric Field Dependence of the Response of 5CB Observed by FT-IR},
74        Url = {http://as.osa.org/abstract.cfm?URI=as-51-2-283},
75        Volume = {51},
76        Year = {1997},
77        Bdsk-Url-1 = {http://as.osa.org/abstract.cfm?URI=as-51-2-283}}
549  
550   @article{Lee:2006qd,
551          Author = {Lee, Lay Min and Kwon, Hye J. and Kang, Joo H. and Nuzzo, Ralph G. and Schweizer, Kenneth S.},
# Line 82 | Line 553
553          Date-Modified = {2014-01-20 19:39:28 +0000},
554          Doi = {http://dx.doi.org/10.1063/1.2210930},
555          Eid = 024705,
556 <        Journal = {The Journal of Chemical Physics},
556 >        Journal = {J. Chem. Phys.},
557          Number = {2},
558          Pages = {024705},
559          Title = {Anchoring and electro-optical dynamics of thin liquid crystalline films in a polyimide cell: Experiment and theory},
# Line 98 | Line 569
569          Date-Modified = {2014-01-20 19:39:44 +0000},
570          Doi = {10.1021/jp111408n},
571          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp111408n},
572 <        Journal = {The Journal of Physical Chemistry B},
572 >        Journal = {J. Phys. Chem. B},
573          Number = {10},
574          Pages = {2214-2227},
575          Title = {An Atomistic Simulation for 4-Cyano-4$^\prime$-pentylbiphenyl and Its Homologue with a Reoptimized Force Field},
# Line 114 | Line 585
585          Date-Modified = {2014-01-20 19:38:40 +0000},
586          Doi = {http://dx.doi.org/10.1016/j.cplett.2006.03.055},
587          Issn = {0009-2614},
588 <        Journal = {Chemical Physics Letters},
588 >        Journal = {Chem. Phys. Lett.},
589          Number = {1--3},
590          Pages = {178 - 182},
591          Title = {Raman spectroscopy study and density functional theory calculations of the nematic liquid crystal 4-n-pentyl-4$^\prime$-cyanobiphenyl under an electric field},
# Line 130 | Line 601
601          Date-Modified = {2014-01-20 19:10:45 +0000},
602          Doi = {10.1021/ja032015d},
603          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja032015d},
604 <        Journal = {Journal of the American Chemical Society},
604 >        Journal = {J. Am. Chem. Soc.},
605          Number = {16},
606          Pages = {5078-5079},
607          Title = {A New Method for Determining the Local Environment and Orientation of Individual Side Chains of Membrane-Binding Peptides},
# Line 143 | Line 614
614   @article{Webb:2008kn,
615          Author = {Webb, Lauren J. and Boxer, Steven G.},
616          Date-Added = {2014-01-20 19:09:37 +0000},
617 <        Date-Modified = {2014-01-20 19:38:19 +0000},
617 >        Date-Modified = {2014-04-01 19:42:25 +0000},
618          Doi = {10.1021/bi701708u},
619          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/bi701708u},
620          Journal = {Biochemistry},
150        Note = {PMID: 18205401},
621          Number = {6},
622          Pages = {1588-1598},
623          Title = {Electrostatic Fields Near the Active Site of Human Aldose Reductase: 1. New Inhibitors and Vibrational Stark Effect Measurements},
# Line 163 | Line 633
633          Date-Modified = {2014-01-20 19:37:48 +0000},
634          Doi = {10.1021/jp8067393},
635          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8067393},
636 <        Journal = {The Journal of Physical Chemistry B},
636 >        Journal = {J. Phys. Chem. B},
637          Number = {10},
638          Pages = {2972-2983},
639          Title = {Stark Realities},
# Line 358 | Line 828
828   @article{Levelut:1981eu,
829          Author = {Levelut, A. M. and Tarento, R. J. and Hardouin, F. and Achard, M. F. and Sigaud, G.},
830          Date-Added = {2014-01-20 18:32:07 +0000},
831 <        Date-Modified = {2014-01-20 18:49:25 +0000},
831 >        Date-Modified = {2014-02-21 18:30:08 +0000},
832          Doi = {10.1103/PhysRevA.24.2180},
833          Issue = {4},
834          Journal = {Phys. Rev. A},
# Line 366 | Line 836
836          Numpages = {0},
837          Pages = {2180--2186},
838          Publisher = {American Physical Society},
839 <        Title = {Number of SA phases},
839 >        Title = {Number of $S_A$ phases},
840          Url = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
841          Volume = {24},
842          Year = {1981},
# Line 461 | Line 931
931          Year = {1989},
932          Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevA.40.5444},
933          Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.40.5444}}
464
465 @book{Collings97,
466        Address = {London},
467        Author = {Collings, P.~J. and Hird, M},
468        Date-Added = {2014-01-20 18:19:49 +0000},
469        Date-Modified = {2014-01-20 18:19:49 +0000},
470        Publisher = {Taylor and Francis},
471        Title = {Introduction to Liquid Crystals: Chemistry and Physics},
472        Year = 1997}

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