ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/multipole/dielectric_new.bib
Revision: 4408
Committed: Wed Mar 30 20:12:46 2016 UTC (8 years, 2 months ago) by gezelter
File size: 26805 byte(s)
Log Message: 
New figures, some edits

File Contents

# Content
1 %% This BibTeX bibliography file was created using BibDesk.
2 %% http://bibdesk.sourceforge.net/
3
4
5 %% Created for Dan Gezelter at 2016-03-30 15:37:12 -0400
6
7
8 %% Saved with string encoding Unicode (UTF-8)
9
10
11 @string{cpl = {Chem. Phys. Lett.}}
12
13 @string{jcp = {J. Chem. Phys.}}
14
15 @string{jctc = {J. Chem. Theory Comput.}}
16
17 @string{jpcb = {J. Phys. Chem. B}}
18
19 @string{jpcc = {J. Phys. Chem. C}}
20
21 @string{mp = {Mol. Phys.}}
22
23
24 @article{Wu:2005nr,
25 Author = {Wu, Xiongwu and Brooks, Bernard R.},
26 Date-Added = {2016-03-28 18:06:59 +0000},
27 Date-Modified = {2016-03-30 19:25:10 +0000},
28 Journal = {J. Chem. Phys.},
29 Number = {4},
30 Title = {Isotropic periodic sum: A method for the calculation of long-range interactions},
31 Url = {http://scitation.aip.org/content/aip/journal/jcp/122/4/10.1063/1.1836733},
32 Volume = {122},
33 Year = {2005},
34 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/122/4/10.1063/1.1836733},
35 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1836733}}
36
37 @article{Wang:2016kx,
38 Author = {Wang, Han and Nakamura, Haruki and Fukuda, Ikuo},
39 Date-Added = {2016-03-28 18:03:52 +0000},
40 Date-Modified = {2016-03-30 19:30:06 +0000},
41 Journal = {J. Chem. Phys.},
42 Number = {11},
43 Title = {A critical appraisal of the zero-multipole method: Structural, thermodynamic, dielectric, and dynamical properties of a water system},
44 Url = {http://scitation.aip.org/content/aip/journal/jcp/144/11/10.1063/1.4943956},
45 Volume = {144},
46 Year = {2016},
47 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/144/11/10.1063/1.4943956},
48 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4943956}}
49
50 @article{Fukuda:2013uq,
51 Author = {Fukuda, Ikuo},
52 Date-Added = {2016-03-28 18:03:23 +0000},
53 Date-Modified = {2016-03-30 19:29:49 +0000},
54 Journal = {J. Chem. Phys.},
55 Number = {17},
56 Title = {Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system},
57 Url = {http://scitation.aip.org/content/aip/journal/jcp/139/17/10.1063/1.4827055},
58 Volume = {139},
59 Year = {2013},
60 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/139/17/10.1063/1.4827055},
61 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4827055}}
62
63 @article{Meineke05,
64 Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
65 Date-Added = {2016-03-28 15:39:34 +0000},
66 Date-Modified = {2016-03-28 15:39:34 +0000},
67 Journal = {J. Comp. Chem.},
68 Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Meineke_OOPSE_05.pdf},
69 Pages = {252-271},
70 Title = {OOPSE: An Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
71 Volume = 26,
72 Year = 2005}
73
74 @book{openmd,
75 Author = {J. Daniel Gezelter and Madan Lamichhane and Joseph Michalka and Patrick Louden and Kelsey M. Stocker and Shenyu Kuang and James Marr and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke},
76 Date-Added = {2016-03-28 15:39:28 +0000},
77 Date-Modified = {2016-03-30 19:28:27 +0000},
78 Publisher = {An open source molecular dynamics engine},
79 Title = {OpenMD},
80 Url = {http://openmd.org (accessed 4/1/2016)},
81 Year = {version 2.4, {\tt http://openmd.org} (accessed 4/1/2016)},
82 Bdsk-Url-1 = {http://openmd.org%20(accessed%2011/13/2013)}}
83
84 @article{Smith82,
85 Author = {W. Smith},
86 Date-Added = {2016-03-28 15:39:22 +0000},
87 Date-Modified = {2016-03-30 19:27:54 +0000},
88 Journal = {CCP5 Information Quarterly},
89 Pages = {13-25},
90 Title = {Point multipoles in the \uppercase{E}wald summation},
91 Volume = 4,
92 Year = 1982}
93
94 @article{Smith98,
95 Author = {W. Smith},
96 Date-Added = {2016-03-28 15:39:22 +0000},
97 Date-Modified = {2016-03-28 15:39:22 +0000},
98 Journal = {CCP5 Information Quarterly},
99 Pages = {18-30},
100 Title = {Point multipoles in the \uppercase{E}wald summation (Revisited)},
101 Volume = {46},
102 Year = {1998}}
103
104 @article{Fixman:1974fk,
105 Abstract = {A classical system of mass points subject to holonomic constraints has a kinetic energy dependent on the coordinates as well as the moments of the remaining degrees of freedom. Coordinate averages formed in the reduced space of unconstrained coordinates and their conjugate momenta then involve a metric determinant that may be difficult to evaluate. A theorem is derived that permits a relatively easy evaluation when the constraints are distances between particles, and an application is made to a Kramers type freely jointed chain.},
106 Author = {Fixman, Marshall},
107 Date-Added = {2016-03-28 14:03:50 +0000},
108 Date-Modified = {2016-03-30 19:27:21 +0000},
109 Journal = {Proc. Natl. Acad. Sci. USA},
110 Number = {8},
111 Pages = {3050-3053},
112 Title = {Classical Statistical Mechanics of Constraints: A Theorem and Application to Polymers},
113 Url = {http://www.pnas.org/content/71/8/3050.abstract},
114 Volume = {71},
115 Year = {1974},
116 Bdsk-Url-1 = {http://www.pnas.org/content/71/8/3050.abstract}}
117
118 @article{Wolf99,
119 Author = {D. Wolf and P. Keblinski and S.~R. Phillpot and J. Eggebrecht},
120 Date-Added = {2013-07-10 15:17:24 +0000},
121 Date-Modified = {2013-07-10 15:17:24 +0000},
122 Journal = {J. Chem. Phys.},
123 Number = {17},
124 Pages = {8254-8282},
125 Rating = {0},
126 Read = {No},
127 Title = {Exact method for the simulation of Coulombic systems by spherically truncated, pairwise $r^{-1}$ summation},
128 Volume = {110},
129 Year = {1999}}
130
131 @article{Zahn02,
132 Author = {D. Zahn and B. Schilling and S.~M. Kast},
133 Date-Added = {2013-07-10 15:17:24 +0000},
134 Date-Modified = {2013-07-10 15:17:24 +0000},
135 Journal = {J. Phys. Chem. B},
136 Number = {41},
137 Pages = {10725-10732},
138 Title = {Enhancement of the \uppercase{W}olf Damped Coulomb Potential: $\mbox{S}$tatic, Dynamic, and Dielectric Properties of Liquid Water from Molecular Simulation},
139 Volume = {106},
140 Year = {2002}}
141
142 @article{Kast03,
143 Author = {S.~M. Kast and K.~F. Schmidt and B. Schilling},
144 Date-Added = {2013-12-06 16:42:41 +0000},
145 Date-Modified = {2013-12-06 16:42:41 +0000},
146 Journal = Cpl,
147 Pages = {398-404},
148 Title = {Integral Equation Theory for Correcting Truncation Errors in Molecular Simulations},
149 Volume = {367},
150 Year = {2003}}
151
152 @article{Beckd05,
153 Affiliation = {Biomolecular Structure and Design Program, University of Washington, Seattle, Washington 98195-7610, And Department of Medicinal Chemistry, University of Washington, Seattle, Washington 98195-7610},
154 Author = {Beck, D.A.C. And Armen, R.S. And Daggett, V.},
155 Date-Added = {2013-12-06 16:42:41 +0000},
156 Date-Modified = {2013-12-06 16:42:41 +0000},
157 Issn = {0006-2960},
158 Journal = {Biochemistry},
159 Number = {2},
160 Pages = {609-616},
161 Title = {Cutoff Size Need Not Strongly Influence Molecular Dynamics Results for Solvated Polypeptides},
162 Url = {Http://Pubs3.Acs.Org/Acs/Journals/Doilookup?In_Doi=10.1021/Bi0486381},
163 Volume = {44},
164 Year = {2005},
165 Bdsk-Url-1 = {Http://Pubs3.Acs.Org/Acs/Journals/Doilookup?In_Doi=10.1021/Bi0486381}}
166
167 @article{Ma05,
168 Author = {Y. Ma and S.~H. Garofalini},
169 Date-Added = {2013-07-10 15:17:24 +0000},
170 Date-Modified = {2013-07-10 15:17:24 +0000},
171 Journal = {Mol. Simul.},
172 Number = 11,
173 Pages = {739-748},
174 Title = {Modified Wolf electrostatic summation: Incorporating an empirical charge overlap},
175 Volume = 31,
176 Year = 2005}
177
178 @article{Fennell06,
179 Author = {C.~J. Fennell and J.~D. Gezelter},
180 Date-Added = {2013-07-10 15:17:31 +0000},
181 Date-Modified = {2013-07-10 15:17:31 +0000},
182 Doi = {10.1063/1.2206581},
183 Journal = {J. Chem. Phys.},
184 Number = {23},
185 Pages = {234104(12)},
186 Rating = {5},
187 Read = {Yes},
188 Title = {Is the \uppercase{E}wald summation still necessary? \uppercase{P}airwise alternatives to the accepted standard for long-range electrostatics},
189 Volume = {124},
190 Year = {2006},
191 Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2206581}}
192
193 @article{PaperII,
194 Author = {Lamichhane, Madan and Newman, Kathie E. and Gezelter, J. Daniel},
195 Date-Modified = {2016-03-30 19:30:35 +0000},
196 Journal = {J. Chem. Phys.},
197 Number = {13},
198 Pages = {-},
199 Title = {Real space electrostatics for multipoles. II. Comparisons with the Ewald sum},
200 Url = {http://scitation.aip.org/content/aip/journal/jcp/141/13/10.1063/1.4896628},
201 Volume = {141},
202 Year = {2014},
203 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/141/13/10.1063/1.4896628},
204 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4896628}}
205
206 @article{PaperI,
207 Author = {Lamichhane, Madan and Gezelter, J. Daniel and Newman, Kathie E.},
208 Date-Modified = {2016-03-30 19:30:25 +0000},
209 Journal = {J. Chem. Phys.},
210 Number = {13},
211 Pages = {-},
212 Title = {Real space electrostatics for multipoles. I. Development of methods},
213 Url = {http://scitation.aip.org/content/aip/journal/jcp/141/13/10.1063/1.4896627},
214 Volume = {141},
215 Year = {2014},
216 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/141/13/10.1063/1.4896627},
217 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4896627}}
218
219 @article{Kirkwood39,
220 Author = {Kirkwood, John G.},
221 Date-Modified = {2016-03-30 19:30:55 +0000},
222 Journal = {J. Chem. Phys.},
223 Number = {10},
224 Pages = {911-919},
225 Title = {The Dielectric Polarization of Polar Liquids},
226 Url = {http://scitation.aip.org/content/aip/journal/jcp/7/10/10.1063/1.1750343},
227 Volume = {7},
228 Year = {1939},
229 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/7/10/10.1063/1.1750343},
230 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1750343}}
231
232 @article{Onsagar36,
233 Author = {Lars Onsager},
234 Date-Modified = {2016-03-30 19:31:24 +0000},
235 Doi = {10.1021/ja01299a050},
236 Journal = {J. Am. Chem. Soc.},
237 Number = {8},
238 Pages = {1486-1493},
239 Title = {Electric Moments of Molecules in Liquids},
240 Url = {http://dx.doi.org/10.1021/ja01299a050},
241 Volume = {58},
242 Year = {1936},
243 Bdsk-Url-1 = {http://dx.doi.org/10.1021/ja01299a050}}
244
245 @book{Allen89,
246 Abstract = {{Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. They can be used to evaluate approximate theories of liquids, and to provide detailed information on the structure and dynamics of model liquids at the molecular level. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods. The first four chapters describe these methods in detail, and provide the essential background in intermolecular forces and statistical mechanics. Chapters 5 and 6 emphasize the practical aspects of writing efficient programs and analysing the simulation results. The remaining chapters cover advanced techniques, non-equilibrium methods, Brownian dynamics, quantum simulations, and some important applications. FORTRAN code is presented in the text.}},
247 Author = {Allen, M. P. and Tildesley, D. J.},
248 Citeulike-Article-Id = {1820925},
249 Citeulike-Linkout-0 = {http://www.amazon.ca/exec/obidos/redirect?tag=citeulike09-20\&path=ASIN/0198556454},
250 Citeulike-Linkout-1 = {http://www.amazon.de/exec/obidos/redirect?tag=citeulike01-21\&path=ASIN/0198556454},
251 Citeulike-Linkout-10 = {http://www.worldcat.org/oclc/20281700},
252 Citeulike-Linkout-2 = {http://www.amazon.fr/exec/obidos/redirect?tag=citeulike06-21\&path=ASIN/0198556454},
253 Citeulike-Linkout-3 = {http://www.amazon.jp/exec/obidos/ASIN/0198556454},
254 Citeulike-Linkout-4 = {http://www.amazon.co.uk/exec/obidos/ASIN/0198556454/citeulike00-21},
255 Citeulike-Linkout-5 = {http://www.amazon.com/exec/obidos/redirect?tag=citeulike07-20\&path=ASIN/0198556454},
256 Citeulike-Linkout-6 = {http://www.worldcat.org/isbn/0198556454},
257 Citeulike-Linkout-7 = {http://books.google.com/books?vid=ISBN0198556454},
258 Citeulike-Linkout-8 = {http://www.amazon.com/gp/search?keywords=0198556454\&index=books\&linkCode=qs},
259 Citeulike-Linkout-9 = {http://www.librarything.com/isbn/0198556454},
260 Date-Added = {2014-07-17 17:43:42 +0000},
261 Date-Modified = {2014-07-17 17:43:42 +0000},
262 Day = {29},
263 Edition = {Reprint},
264 Howpublished = {Paperback},
265 Isbn = {0198556454},
266 Keywords = {computer\_simulation\_of\_liquids, dynamics, liquids, molecular, simulations},
267 Month = jun,
268 Posted-At = {2009-09-21 01:53:35},
269 Priority = {2},
270 Publisher = {Oxford University Press, USA},
271 Series = {Oxford science publications},
272 Title = {{Computer Simulation of Liquids}},
273 Url = {http://www.amazon.com/exec/obidos/redirect?tag=citeulike07-20\&path=ASIN/0198556454},
274 Year = {1989},
275 Bdsk-Url-1 = {http://www.amazon.com/exec/obidos/redirect?tag=citeulike07-20%5C&path=ASIN/0198556454}}
276
277 @article{NeumannI83,
278 Author = {Neumann, Martin},
279 Date-Added = {2014-07-17 16:58:07 +0000},
280 Date-Modified = {2016-03-30 19:35:33 +0000},
281 Doi = {10.1080/00268978300102721},
282 Journal = {Mol. Phys.},
283 Number = {4},
284 Pages = {841-858},
285 Title = {Dipole moment fluctuation formulas in computer simulations of polar systems},
286 Volume = {50},
287 Year = {1983},
288 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/00268978300102721},
289 Bdsk-Url-2 = {http://dx.doi.org/10.1080/00268978300102721}}
290
291 @article{NeumannII83,
292 Author = {M. Neumann and O. Steinhauser},
293 Date-Added = {2014-07-17 16:52:21 +0000},
294 Date-Modified = {2016-03-30 19:35:23 +0000},
295 Doi = {http://dx.doi.org/10.1016/0009-2614(83)80585-5},
296 Issn = {0009-2614},
297 Journal = {Chem. Phys. Lett.},
298 Number = {4--5},
299 Pages = {417 - 422},
300 Title = {On the calculation of the dielectric constant using the Ewald-Kornfeld tensor},
301 Volume = {95},
302 Year = {1983},
303 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0009261483805855},
304 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0009-2614(83)80585-5}}
305
306 @article{Neumann84,
307 Author = {M. Neumann and O. Steinhauser and G.~S. Pawley},
308 Date-Added = {2014-09-11 17:58:01 +0000},
309 Date-Modified = {2014-09-11 17:58:01 +0000},
310 Journal = mp,
311 Number = {1},
312 Pages = {97-113},
313 Title = {Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations},
314 Volume = {52},
315 Year = {1984}}
316
317 @article{Neumann85,
318 Author = {M. Neumann},
319 Date-Added = {2014-09-11 17:58:01 +0000},
320 Date-Modified = {2014-09-11 17:58:01 +0000},
321 Journal = jcp,
322 Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/DielectricConst./Neumann_H2ODielConst_85.pdf},
323 Number = {12},
324 Pages = {5663-5672},
325 Title = {The dielectric constant of water. \uppercase{C}omputer simulations with the \uppercase{MCY} potential},
326 Volume = {82},
327 Year = {1985}}
328
329 @article{Horn04,
330 Author = {H.~W. Horn and W.~C. Swope and J.~W. Pitera and J.~D. Madura and T.~J. Dick and G.~L. Hura and T. Head-Gordon},
331 Date-Added = {2014-09-11 17:58:10 +0000},
332 Date-Modified = {2014-09-11 17:58:10 +0000},
333 Doi = {10.1063/1.1683075},
334 Journal = jcp,
335 Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Horn_TIP4P-Ew_04.pdf},
336 Number = {20},
337 Pages = {9665-9678},
338 Title = {Development of an improved four-site water model for biomolecular simulations: \uppercase{TIP4P-E}w},
339 Volume = {120},
340 Year = {2004},
341 Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1683075}}
342
343 @article{LoganI81,
344 Author = {David E. Logan},
345 Date-Modified = {2016-03-30 19:26:24 +0000},
346 Doi = {10.1080/00268978100103181},
347 Journal = {Mol. Phys.},
348 Number = {6},
349 Pages = {1271-1295},
350 Title = {On the dielectric theory of fluids},
351 Url = {http://dx.doi.org/10.1080/00268978100103181},
352 Volume = {44},
353 Year = {1981},
354 Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268978100103181}}
355
356 @article{LoganII82,
357 Author = {David E. Logan},
358 Date-Modified = {2016-03-30 19:26:36 +0000},
359 Doi = {10.1080/00268978200101251},
360 Journal = {Mol. Phys.},
361 Number = {2},
362 Pages = {271-285},
363 Title = {On the dielectric theory of fluids},
364 Url = {http://dx.doi.org/10.1080/00268978200101251},
365 Volume = {46},
366 Year = {1982},
367 Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268978200101251}}
368
369 @article{LoganIII82,
370 Author = {David E. Logan},
371 Date-Modified = {2016-03-30 19:26:48 +0000},
372 Doi = {10.1080/00268978200101871},
373 Journal = {Mol. Phys.},
374 Number = {6},
375 Pages = {1155-1194},
376 Title = {On the dielectric theory of fluids},
377 Url = {http://dx.doi.org/10.1080/00268978200101871},
378 Volume = {46},
379 Year = {1982},
380 Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268978200101871}}
381
382 @article{Izvekov08,
383 Author = {Izvekov, Sergei and Swanson, Jessica M. J. and Voth, Gregory A.},
384 Date = {APR 17 2008},
385 Date-Added = {2013-12-06 16:42:41 +0000},
386 Date-Modified = {2013-12-06 16:42:41 +0000},
387 Doi = {DOI 10.1021/jp710339n},
388 Journal = jpcb,
389 Pages = {4711-4724},
390 Publisher = {AMER CHEMICAL SOC},
391 Timescited = {0},
392 Title = {Coarse-graining in interaction space: A systematic approach for replacing long-range electrostatics with short-range Potentials},
393 Volume = {112},
394 Year = {2008},
395 Bdsk-Url-1 = {http://dx.doi.org/10.1021/jp710339n}}
396
397 @article{Ernst92,
398 Author = {Ernst, Richard M. and Wu, Lei and Liu, Chu-heng and Nagel, Sidney R. and Neubert, Mary E.},
399 Doi = {10.1103/PhysRevB.45.667},
400 Issue = {2},
401 Journal = {Phys. Rev. B},
402 Month = {Jan},
403 Numpages = {0},
404 Pages = {667--672},
405 Publisher = {American Physical Society},
406 Title = {Quadrupolar susceptibility of complex fluids},
407 Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.667},
408 Volume = {45},
409 Year = {1992},
410 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.667},
411 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.667}}
412
413 @article{JeonI03,
414 Author = {Jeon, Jonggu and Kim, Hyung J.},
415 Date-Modified = {2016-03-30 19:34:16 +0000},
416 Doi = {http://dx.doi.org/10.1063/1.1605376},
417 Journal = {J. Chem. Phys.},
418 Number = {16},
419 Pages = {8606-8625},
420 Title = {A continuum theory of solvation in quadrupolar solvents. I. Formulation},
421 Url = {http://scitation.aip.org/content/aip/journal/jcp/119/16/10.1063/1.1605376},
422 Volume = {119},
423 Year = {2003},
424 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/119/16/10.1063/1.1605376},
425 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1605376}}
426
427 @article{JeonII03,
428 Author = {Jeon, Jonggu and Kim, Hyung J.},
429 Date-Modified = {2016-03-30 19:34:23 +0000},
430 Doi = {http://dx.doi.org/10.1063/1.1605377},
431 Journal = {J. Chem. Phys.},
432 Number = {16},
433 Pages = {8626-8635},
434 Title = {A continuum theory of solvation in quadrupolar solvents. II. Solvation free energetics, dynamics, and solvatochromism},
435 Url = {http://scitation.aip.org/content/aip/journal/jcp/119/16/10.1063/1.1605377},
436 Volume = {119},
437 Year = {2003},
438 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/119/16/10.1063/1.1605377},
439 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1605377}}
440
441 @article{Chitanvis96,
442 Author = {Chitanvis, Shirish M.},
443 Date-Modified = {2016-03-30 19:31:46 +0000},
444 Doi = {http://dx.doi.org/10.1063/1.471615},
445 Journal = {J. Chem. Phys.},
446 Number = {22},
447 Pages = {9065-9074},
448 Title = {A continuum solvation theory of quadrupolar fluids},
449 Url = {http://scitation.aip.org/content/aip/journal/jcp/104/22/10.1063/1.471615},
450 Volume = {104},
451 Year = {1996},
452 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/104/22/10.1063/1.471615},
453 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.471615}}
454
455 @book{Jackson98,
456 Abstract = {{A revision of the defining book covering the physics and classical mathematics necessary to understand electromagnetic fields in materials and at surfaces and interfaces. The third edition has been revised to address the changes in emphasis and applications that have occurred in the past twenty years. }},
457 Author = {Jackson, John D.},
458 Citeulike-Article-Id = {486037},
459 Citeulike-Linkout-0 = {http://www.amazon.ca/exec/obidos/redirect?tag=citeulike09-20\&path=ASIN/047130932X},
460 Citeulike-Linkout-1 = {http://www.amazon.de/exec/obidos/redirect?tag=citeulike01-21\&path=ASIN/047130932X},
461 Citeulike-Linkout-2 = {http://www.amazon.fr/exec/obidos/redirect?tag=citeulike06-21\&path=ASIN/047130932X},
462 Citeulike-Linkout-3 = {http://www.amazon.jp/exec/obidos/ASIN/047130932X},
463 Citeulike-Linkout-4 = {http://www.amazon.co.uk/exec/obidos/ASIN/047130932X/citeulike00-21},
464 Citeulike-Linkout-5 = {http://www.amazon.com/exec/obidos/redirect?tag=citeulike07-20\&path=ASIN/047130932X},
465 Citeulike-Linkout-6 = {http://www.worldcat.org/isbn/047130932X},
466 Citeulike-Linkout-7 = {http://books.google.com/books?vid=ISBN047130932X},
467 Citeulike-Linkout-8 = {http://www.amazon.com/gp/search?keywords=047130932X\&index=books\&linkCode=qs},
468 Citeulike-Linkout-9 = {http://www.librarything.com/isbn/047130932X},
469 Day = {10},
470 Edition = {Third},
471 Howpublished = {Hardcover},
472 Isbn = {047130932X},
473 Keywords = {general},
474 Month = aug,
475 Posted-At = {2009-06-17 19:29:28},
476 Priority = {2},
477 Publisher = {Wiley},
478 Title = {{Classical Electrodynamics Third Edition}},
479 Url = {http://www.amazon.com/exec/obidos/redirect?tag=citeulike07-20\&path=ASIN/047130932X},
480 Year = {1998},
481 Bdsk-Url-1 = {http://www.amazon.com/exec/obidos/redirect?tag=citeulike07-20%5C&path=ASIN/047130932X}}
482
483 @article{AduGyamfi78,
484 Author = {D. Adu-Gyamfi},
485 Date-Modified = {2016-03-30 19:36:57 +0000},
486 Doi = {http://dx.doi.org/10.1016/0378-4371(78)90175-9},
487 Issn = {0378-4371},
488 Journal = {Physica A},
489 Number = {3},
490 Pages = {553 - 558},
491 Title = {On the electric quadrupole density of an isotropic non-polar fluid},
492 Url = {http://www.sciencedirect.com/science/article/pii/0378437178901759},
493 Volume = {93},
494 Year = {1978},
495 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0378437178901759},
496 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0378-4371(78)90175-9}}
497
498 @article{AduGyamfi81,
499 Abstract = {We calculate the orientational average of the total electric dipole and quadrupole moments of a polar molecule in a non-uniform electric field and comment on the results. },
500 Author = {D. Adu-Gyamfi},
501 Date-Modified = {2016-03-30 19:37:05 +0000},
502 Doi = {http://dx.doi.org/10.1016/0378-4371(81)90174-6},
503 Issn = {0378-4371},
504 Journal = {Physica A},
505 Number = {1},
506 Pages = {205 - 210},
507 Title = {On the average moments of a polar molecule in a non-uniform electric field},
508 Url = {http://www.sciencedirect.com/science/article/pii/0378437181901746},
509 Volume = {108},
510 Year = {1981},
511 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0378437181901746},
512 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0378-4371(81)90174-6}}
513
514 @article{Stern-Feller03,
515 Author = {Stern, Harry A. and Feller, Scott E.},
516 Date-Modified = {2016-03-30 19:33:18 +0000},
517 Doi = {http://dx.doi.org/10.1063/1.1537244},
518 Journal = {J. Chem. Phys.},
519 Number = {7},
520 Pages = {3401-3412},
521 Title = {Calculation of the dielectric permittivity profile for a nonuniform system: Application to a lipid bilayer simulation},
522 Url = {http://scitation.aip.org/content/aip/journal/jcp/118/7/10.1063/1.1537244},
523 Volume = {118},
524 Year = {2003},
525 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/118/7/10.1063/1.1537244},
526 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1537244}}
527
528 @article{SalvchovI14,
529 Author = {Slavchov, Radomir I. and Ivanov, Tzanko I.},
530 Date-Modified = {2016-03-30 19:33:57 +0000},
531 Doi = {http://dx.doi.org/10.1063/1.4865878},
532 Journal = {J. Chem. Phys.},
533 Number = {7},
534 Pages = {-},
535 Title = {Quadrupole terms in the Maxwell equations: Born energy, partial molar volume, and entropy of ions},
536 Url = {http://scitation.aip.org/content/aip/journal/jcp/140/7/10.1063/1.4865878},
537 Volume = {140},
538 Year = {2014},
539 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/140/7/10.1063/1.4865878},
540 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4865878}}
541
542 @article{SalvchovII14,
543 Author = {Slavchov, Radomir I.},
544 Date-Modified = {2016-03-30 19:33:46 +0000},
545 Doi = {http://dx.doi.org/10.1063/1.4871661},
546 Journal = {J. Chem. Phys.},
547 Number = {16},
548 Pages = {-},
549 Title = {Quadrupole terms in the Maxwell equations: Debye-H{\"u}ckel theory in quadrupolarizable solvent and self-salting-out of electrolytes},
550 Url = {http://scitation.aip.org/content/aip/journal/jcp/140/16/10.1063/1.4871661},
551 Volume = {140},
552 Year = {2014},
553 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/140/16/10.1063/1.4871661},
554 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4871661}}
555
556 @article{Stern03,
557 Author = {Stern, Harry A. and Feller, Scott E.},
558 Date-Modified = {2016-03-30 19:33:26 +0000},
559 Doi = {http://dx.doi.org/10.1063/1.1537244},
560 Journal = {J. Chem. Phys.},
561 Number = {7},
562 Pages = {3401-3412},
563 Title = {Calculation of the dielectric permittivity profile for a nonuniform system: Application to a lipid bilayer simulation},
564 Url = {http://scitation.aip.org/content/aip/journal/jcp/118/7/10.1063/1.1537244},
565 Volume = {118},
566 Year = {2003},
567 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/118/7/10.1063/1.1537244},
568 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1537244}}
569
570 @article{Wilfred07,
571 Author = {Trzesniak, Daniel and Kunz, Anna-Pitschna E. and van Gunsteren, Wilfred F.},
572 Doi = {10.1002/cphc.200600527},
573 Issn = {1439-7641},
574 Journal = {ChemPhysChem},
575 Keywords = {computer chemistry, free-energy calculations, molecular dynamics, potential of mean force},
576 Number = {1},
577 Pages = {162--169},
578 Publisher = {WILEY-VCH Verlag},
579 Title = {A Comparison of Methods to Compute the Potential of Mean Force},
580 Url = {http://dx.doi.org/10.1002/cphc.200600527},
581 Volume = {8},
582 Year = {2007},
583 Bdsk-Url-1 = {http://dx.doi.org/10.1002/cphc.200600527}}
584
585 @misc{openmd2.3,
586 Author = {J. Daniel Gezelter and Madan Lamichhane and Patrick Louden and Joseph Michalka and Suzanne Niedhart and Teng Lin and Charles F. Vardeman II and Christopher J. Fennell and Matthew A. Meineke and Shenyu Kuang and Kelsey Stocker and James Marr and Xiuquan Sun and Chunlei Li and Kyle Daily and Yang Zheng},
587 Howpublished = {Available at {\tt http://openmd.org}},
588 Title = {OPENMD-2.3: Molecular Dynamics in the Open}}
589
590 @article{Torres-del-Castillo:2006uo,
591 Author = {Torres del Castillo, G. F. and M\'{e}ndez Garrido, A.},
592 Date-Added = {2014-09-04 21:29:51 +0000},
593 Date-Modified = {2014-09-04 21:29:51 +0000},
594 Journal = {Revista Mexicana de F\'{i}sica},
595 Number = {6},
596 Pages = {501-506},
597 Title = {Torques on Quadrupoles},
598 Volume = {52},
599 Year = {2006}}
600
601 @article{Adams81,
602 Author = {Adams, D.J. and Adams, E.M.},
603 Date-Added = {2014-07-17 16:54:22 +0000},
604 Date-Modified = {2016-03-30 19:25:57 +0000},
605 Doi = {10.1080/00268978100100701},
606 Journal = {Mol. Phys.},
607 Number = {4},
608 Pages = {907-926},
609 Title = {Static dielectric properties of the Stockmayer fluid from computer simulation},
610 Volume = {42},
611 Year = {1981},
612 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/00268978100100701},
613 Bdsk-Url-2 = {http://dx.doi.org/10.1080/00268978100100701}}
614
615 @article{Adams80,
616 Author = {Adams, D.J.},
617 Date-Added = {2014-07-17 16:53:50 +0000},
618 Date-Modified = {2016-03-30 19:25:46 +0000},
619 Doi = {10.1080/00268978000102261},
620 Journal = {Mol. Phys.},
621 Number = {5},
622 Pages = {1261-1271},
623 Title = {Computer simulation of highly polar liquids: The hard sphere plus point dipole potential},
624 Volume = {40},
625 Year = {1980},
626 Bdsk-Url-1 = {http://www.tandfonline.com/doi/abs/10.1080/00268978000102261},
627 Bdsk-Url-2 = {http://dx.doi.org/10.1080/00268978000102261}}