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Revision 4042 by gezelter, Fri Feb 21 18:46:54 2014 UTC

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2   %% http://bibdesk.sourceforge.net/
3  
4  
5 < %% Created for Dan Gezelter at 2014-02-21 09:18:13 -0500
5 > %% Created for Dan Gezelter at 2014-02-21 13:37:01 -0500
6  
7  
8   %% Saved with string encoding Unicode (UTF-8)
9  
10  
11  
12 + @article{Berne:1972pb,
13 +        Author = {Berne, Bruce J. and Pechukas, Philip},
14 +        Date-Added = {2014-02-21 18:28:49 +0000},
15 +        Date-Modified = {2014-02-21 18:28:49 +0000},
16 +        Doi = {http://dx.doi.org/10.1063/1.1677837},
17 +        Journal = {The Journal of Chemical Physics},
18 +        Number = {8},
19 +        Pages = {4213-4216},
20 +        Title = {Gaussian Model Potentials for Molecular Interactions},
21 +        Url = {http://scitation.aip.org/content/aip/journal/jcp/56/8/10.1063/1.1677837},
22 +        Volume = {56},
23 +        Year = {1972},
24 +        Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/56/8/10.1063/1.1677837},
25 +        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1677837}}
26 +
27 + @article{Luckhurst:1990fy,
28 +        Author = {Luckhurst, G. R. and Stephens, R. A. and Phippen, R. W.},
29 +        Date-Added = {2014-02-21 18:27:10 +0000},
30 +        Date-Modified = {2014-02-21 18:27:10 +0000},
31 +        Doi = {10.1080/02678299008047361},
32 +        Eprint = {http://www.tandfonline.com/doi/pdf/10.1080/02678299008047361},
33 +        Journal = {Liquid Crystals},
34 +        Number = {4},
35 +        Pages = {451-464},
36 +        Title = {Computer simulation studies of anisotropic systems. XIX. Mesophases formed by the Gay-Berne model mesogen},
37 +        Url = {http://www.tandfonline.com/doi/abs/10.1080/02678299008047361},
38 +        Volume = {8},
39 +        Year = {1990},
40 +        Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/02678299008047361},
41 +        Bdsk-Url-2 = {http://dx.doi.org/10.1080/02678299008047361}}
42 +
43 + @article{Auer:2007dp,
44 +        Abstract = {We present improvements on our previous approaches for calculating vibrational spectroscopy observables for the OH stretch region of dilute HOD in liquid D2O. These revised approaches are implemented to calculate IR and isotropic Raman spectra, using the SPC/E simulation model, and the results are in good agreement with experiment. We also calculate observables associated with three-pulse IR echoes: the peak shift and 2D-IR spectrum. The agreement with experiment for the former is improved over our previous calculations, but discrepancies between theory and experiment still exist. Using our proposed definition for hydrogen bonding in liquid water, we decompose the distribution of frequencies in the OH stretch region in terms of subensembles of HOD molecules with different local hydrogen-bonding environments. Such a decomposition allows us to make the connection with experiments and calculations on water clusters and more generally to understand the extent of the relationship between transition frequency and local structure in the liquid.},
45 +        Author = {Auer, B. and Kumar, R. and Schmidt, J. R. and Skinner, J. L.},
46 +        Date-Added = {2014-02-21 18:20:31 +0000},
47 +        Date-Modified = {2014-02-21 18:31:54 +0000},
48 +        Doi = {10.1073/pnas.0701482104},
49 +        Eprint = {http://www.pnas.org/content/104/36/14215.full.pdf+html},
50 +        Journal = {Proceedings of the National Academy of Sciences},
51 +        Number = {36},
52 +        Pages = {14215-14220},
53 +        Title = {Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute \ce{HOD} in liquid \ce{D2O}},
54 +        Url = {http://www.pnas.org/content/104/36/14215.abstract},
55 +        Volume = {104},
56 +        Year = {2007},
57 +        Bdsk-Url-1 = {http://www.pnas.org/content/104/36/14215.abstract},
58 +        Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0701482104}}
59 +
60 + @article{Corcelli:2004ai,
61 +        Author = {Corcelli, S. A. and Lawrence, C. P. and Skinner, J. L.},
62 +        Date-Added = {2014-02-21 18:18:50 +0000},
63 +        Date-Modified = {2014-02-21 18:32:22 +0000},
64 +        Doi = {http://dx.doi.org/10.1063/1.1683072},
65 +        Journal = {The Journal of Chemical Physics},
66 +        Number = {17},
67 +        Pages = {8107-8117},
68 +        Title = {Combined electronic structure/molecular dynamics approach for ultrafast infrared spectroscopy of dilute \ce{HOD} in liquid \ce{H2O} and \ce{D2O}},
69 +        Url = {http://scitation.aip.org/content/aip/journal/jcp/120/17/10.1063/1.1683072},
70 +        Volume = {120},
71 +        Year = {2004},
72 +        Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/120/17/10.1063/1.1683072},
73 +        Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1683072}}
74 +
75 + @article{Morales:2009fp,
76 +        Author = {Morales, Christine M. and Thompson, Ward H.},
77 +        Date-Added = {2014-02-21 17:59:53 +0000},
78 +        Date-Modified = {2014-02-21 18:33:21 +0000},
79 +        Doi = {10.1021/jp8072969},
80 +        Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp8072969},
81 +        Journal = {The Journal of Physical Chemistry A},
82 +        Note = {PMID: 19061371},
83 +        Number = {10},
84 +        Pages = {1922-1933},
85 +        Title = {Simulations of Infrared Spectra of Nanoconfined Liquids: Acetonitrile Confined in Nanoscale, Hydrophilic Silica Pores},
86 +        Url = {http://pubs.acs.org/doi/abs/10.1021/jp8072969},
87 +        Volume = {113},
88 +        Year = {2009},
89 +        Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp8072969},
90 +        Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp8072969}}
91 +
92   @article{Bose:2012eu,
93          Author = {Bose, Tushar Kanti and Saha, Jayashree},
94          Date-Added = {2014-02-21 14:00:07 +0000},
# Line 29 | Line 109
109  
110   @article{FILLER:1964yg,
111          Abstract = {An interpolation formula is derived which gives an apodized spectrum as the convolution of the unapodized spectrum (sampled at suitable points) with the apodized apparatus function. This allows many apodizations to be applied to a single interferogram with the performance of only a single Fourier transformation. A further saving in computation effort is possible if the apodized apparatus function decays rapidly away from its center. Examples of such cases are presented, where the interferogram is weighted by a function which is a cosine series of only a few terms.},
112 <        Author = {A. S. FILLER},
112 >        Author = {A. S. Filler},
113          Date-Added = {2014-02-20 18:13:39 +0000},
114 <        Date-Modified = {2014-02-20 18:13:39 +0000},
114 >        Date-Modified = {2014-02-21 18:31:22 +0000},
115          Doi = {10.1364/JOSA.54.000762},
116          Journal = {J. Opt. Soc. Am.},
117          Month = {Jun},
# Line 103 | Line 183
183   @article{Becke:1993kq,
184          Author = {Becke, Axel D.},
185          Date-Added = {2014-02-19 21:02:30 +0000},
186 <        Date-Modified = {2014-02-19 21:02:30 +0000},
186 >        Date-Modified = {2014-02-21 18:30:55 +0000},
187          Doi = {http://dx.doi.org/10.1063/1.464913},
188          Journal = {The Journal of Chemical Physics},
189          Number = {7},
190          Pages = {5648-5652},
191 <        Title = {Density‐functional thermochemistry. III. The role of exact exchange},
191 >        Title = {Density-functional thermochemistry. III. The role of exact exchange},
192          Url = {http://scitation.aip.org/content/aip/journal/jcp/98/7/10.1063/1.464913},
193          Volume = {98},
194          Year = {1993},
# Line 175 | Line 255
255          Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/74/6/10.1063/1.441483},
256          Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.441483}}
257  
178 – @article{Luckhurst90,
179 –        Author = {Luckhurst, G.~R. and Stephens, R.~A. and Phippen, R.~W.},
180 –        Date = OCT,
181 –        Date-Added = {2014-02-18 20:38:33 +0000},
182 –        Date-Modified = {2014-02-18 20:38:33 +0000},
183 –        Journal = lc,
184 –        Number = 4,
185 –        Pages = {451 - 464},
186 –        Title = {COMPUTER-SIMULATION STUDIES OF ANISOTROPIC SYSTEMS .19. MESOPHASES FORMED BY THE GAY-BERNE MODEL MESOGEN},
187 –        Volume = 8,
188 –        Year = 1990}
189 –
190 – @article{Berne72,
191 –        Author = {Berne, B.~J. and Pechukas, P},
192 –        Date-Added = {2014-02-18 20:38:09 +0000},
193 –        Date-Modified = {2014-02-18 20:38:09 +0000},
194 –        Journal = {Journal of Chemical Physics},
195 –        Number = 8,
196 –        Pages = {4213-4216},
197 –        Title = {Gaussian Model Potentials for Molecular Interactions},
198 –        Volume = 56,
199 –        Year = 1972}
200 –
258   @article{Choi:2008cr,
259          Author = {Choi, Jun-Ho and Oh, Kwang-Im and Lee, Hochan and Lee, Chewook and Cho, Minhaeng},
260          Date-Added = {2014-02-18 18:20:28 +0000},
261 <        Date-Modified = {2014-02-18 18:20:28 +0000},
261 >        Date-Modified = {2014-02-21 18:34:13 +0000},
262          Doi = {http://dx.doi.org/10.1063/1.2844787},
263          Eid = 134506,
264          Journal = {The Journal of Chemical Physics},
265          Number = {13},
266 <        Pages = {-},
266 >        Pages = {134506},
267          Title = {Nitrile and thiocyanate IR probes: Quantum chemistry calculation studies and multivariate least-square fitting analysis},
268          Url = {http://scitation.aip.org/content/aip/journal/jcp/128/13/10.1063/1.2844787},
269          Volume = {128},
# Line 250 | Line 307
307   @article{Lindquist:2008qf,
308          Author = {Lindquist, Beth A. and Corcelli, Steven A.},
309          Date-Added = {2014-02-18 16:26:29 +0000},
310 <        Date-Modified = {2014-02-18 16:26:29 +0000},
310 >        Date-Modified = {2014-02-21 18:05:15 +0000},
311          Doi = {10.1021/jp802039e},
312          Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp802039e},
313          Journal = {The Journal of Physical Chemistry B},
314          Note = {PMID: 18438998},
315          Number = {20},
316          Pages = {6301-6303},
317 <        Title = {Nitrile Groups as Vibrational Probes: Calculations of the CN Infrared Absorption Line Shape of Acetonitrile in Water and Tetrahydrofuran},
317 >        Title = {Nitrile Groups as Vibrational Probes: Calculations of the CN Infrared Absorption Line Shape of Acetonitrile in Water and Tetrahydrofuran},
318          Url = {http://pubs.acs.org/doi/abs/10.1021/jp802039e},
319          Volume = {112},
320          Year = {2008},
# Line 284 | Line 341
341          Abstract = {Time-resolved (TR) spectra of 5CB in the millisecond domain were obtained during excitation with electric fields of different time dependence: ac, dc, and ac $+$ dc. The response to ac excitation occurs mainly at twice the modulating frequency. The effect of the addition of dc to an ac field is the induction of an additional response at the ac frequency. The additional 'single frequency' response persists indefinitely, even though the response to the application of only a permanent dc field relaxes within roughly 200 ms. The amplitude of the oscillating responses diminishes with increasing ac frequency. This result is in accordance with the expected response to the torque exerted by the ac field. Different functional group absorptions respond without a significant phase difference in this time scale.},
342          Author = {J. C. Leyte and P. C. M. Van Woerkom},
343          Date-Added = {2014-02-18 16:19:03 +0000},
344 <        Date-Modified = {2014-02-18 16:19:03 +0000},
344 >        Date-Modified = {2014-02-21 18:35:10 +0000},
345          Journal = {Appl. Spectrosc.},
346          Month = {Nov},
347          Number = {11},
348          Pages = {1711--1714},
349          Publisher = {OSA},
350 <        Title = {FT-IR TRS of Liquid Crystalline 5CB in ac, dc, and ac $+$ dc Electric Fields},
350 >        Title = {FT-IR TRS of Liquid Crystalline 5CB in AC, DC, and AC $+$ DC Electric Fields},
351          Url = {http://as.osa.org/abstract.cfm?URI=as-51-11-1711},
352          Volume = {51},
353          Year = {1997},
# Line 742 | Line 799
799   @article{Levelut:1981eu,
800          Author = {Levelut, A. M. and Tarento, R. J. and Hardouin, F. and Achard, M. F. and Sigaud, G.},
801          Date-Added = {2014-01-20 18:32:07 +0000},
802 <        Date-Modified = {2014-01-20 18:49:25 +0000},
802 >        Date-Modified = {2014-02-21 18:30:08 +0000},
803          Doi = {10.1103/PhysRevA.24.2180},
804          Issue = {4},
805          Journal = {Phys. Rev. A},
# Line 750 | Line 807
807          Numpages = {0},
808          Pages = {2180--2186},
809          Publisher = {American Physical Society},
810 <        Title = {Number of SA phases},
810 >        Title = {Number of $S_A$ phases},
811          Url = {http://link.aps.org/doi/10.1103/PhysRevA.24.2180},
812          Volume = {24},
813          Year = {1981},

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