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1 mlamichh 4397 %% This BibTeX bibliography file was created using BibDesk.
2     %% http://bibdesk.sourceforge.net/
3    
4    
5 gezelter 4408 %% Created for Dan Gezelter at 2016-03-30 15:37:12 -0400
6 mlamichh 4397
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 gezelter 4401
24     @article{Wu:2005nr,
25     Author = {Wu, Xiongwu and Brooks, Bernard R.},
26     Date-Added = {2016-03-28 18:06:59 +0000},
27 gezelter 4408 Date-Modified = {2016-03-30 19:25:10 +0000},
28     Journal = {J. Chem. Phys.},
29 gezelter 4401 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 gezelter 4408 Date-Modified = {2016-03-30 19:30:06 +0000},
41     Journal = {J. Chem. Phys.},
42 gezelter 4401 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 gezelter 4408 Date-Modified = {2016-03-30 19:29:49 +0000},
54     Journal = {J. Chem. Phys.},
55 gezelter 4401 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 gezelter 4408 Date-Modified = {2016-03-30 19:28:27 +0000},
78 gezelter 4401 Publisher = {An open source molecular dynamics engine},
79     Title = {OpenMD},
80 gezelter 4408 Url = {http://openmd.org (accessed 4/1/2016)},
81     Year = {version 2.4, {\tt http://openmd.org} (accessed 4/1/2016)},
82 gezelter 4401 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 gezelter 4408 Date-Modified = {2016-03-30 19:27:54 +0000},
88     Journal = {CCP5 Information Quarterly},
89 gezelter 4401 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 gezelter 4408 Date-Modified = {2016-03-30 19:27:21 +0000},
109     Journal = {Proc. Natl. Acad. Sci. USA},
110 gezelter 4401 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 mlamichh 4397 @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 gezelter 4401 @article{PaperII,
194     Author = {Lamichhane, Madan and Newman, Kathie E. and Gezelter, J. Daniel},
195 gezelter 4408 Date-Modified = {2016-03-30 19:30:35 +0000},
196     Journal = {J. Chem. Phys.},
197 gezelter 4401 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 mlamichh 4397
206     @article{PaperI,
207 gezelter 4401 Author = {Lamichhane, Madan and Gezelter, J. Daniel and Newman, Kathie E.},
208 gezelter 4408 Date-Modified = {2016-03-30 19:30:25 +0000},
209     Journal = {J. Chem. Phys.},
210 gezelter 4401 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 mlamichh 4397
219     @article{Kirkwood39,
220 gezelter 4401 Author = {Kirkwood, John G.},
221 gezelter 4408 Date-Modified = {2016-03-30 19:30:55 +0000},
222     Journal = {J. Chem. Phys.},
223 gezelter 4401 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 mlamichh 4397
232     @article{Onsagar36,
233 gezelter 4401 Author = {Lars Onsager},
234 gezelter 4408 Date-Modified = {2016-03-30 19:31:24 +0000},
235 gezelter 4401 Doi = {10.1021/ja01299a050},
236 gezelter 4408 Journal = {J. Am. Chem. Soc.},
237 gezelter 4401 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 mlamichh 4397
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 gezelter 4408 Date-Modified = {2016-03-30 19:35:33 +0000},
281 mlamichh 4397 Doi = {10.1080/00268978300102721},
282 gezelter 4408 Journal = {Mol. Phys.},
283 mlamichh 4397 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 gezelter 4408 Date-Modified = {2016-03-30 19:35:23 +0000},
295 mlamichh 4397 Doi = {http://dx.doi.org/10.1016/0009-2614(83)80585-5},
296     Issn = {0009-2614},
297 gezelter 4408 Journal = {Chem. Phys. Lett.},
298 mlamichh 4397 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 gezelter 4401
317 mlamichh 4397 @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 gezelter 4401 @article{LoganI81,
344     Author = {David E. Logan},
345 gezelter 4408 Date-Modified = {2016-03-30 19:26:24 +0000},
346 gezelter 4401 Doi = {10.1080/00268978100103181},
347 gezelter 4408 Journal = {Mol. Phys.},
348 gezelter 4401 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 mlamichh 4397
356     @article{LoganII82,
357 gezelter 4401 Author = {David E. Logan},
358 gezelter 4408 Date-Modified = {2016-03-30 19:26:36 +0000},
359 gezelter 4401 Doi = {10.1080/00268978200101251},
360 gezelter 4408 Journal = {Mol. Phys.},
361 gezelter 4401 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 mlamichh 4397
369     @article{LoganIII82,
370 gezelter 4401 Author = {David E. Logan},
371 gezelter 4408 Date-Modified = {2016-03-30 19:26:48 +0000},
372 gezelter 4401 Doi = {10.1080/00268978200101871},
373 gezelter 4408 Journal = {Mol. Phys.},
374 gezelter 4401 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 mlamichh 4397
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 gezelter 4401 @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 mlamichh 4397
413 gezelter 4401 @article{JeonI03,
414     Author = {Jeon, Jonggu and Kim, Hyung J.},
415 gezelter 4408 Date-Modified = {2016-03-30 19:34:16 +0000},
416 gezelter 4401 Doi = {http://dx.doi.org/10.1063/1.1605376},
417 gezelter 4408 Journal = {J. Chem. Phys.},
418 gezelter 4401 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 mlamichh 4397
427     @article{JeonII03,
428 gezelter 4401 Author = {Jeon, Jonggu and Kim, Hyung J.},
429 gezelter 4408 Date-Modified = {2016-03-30 19:34:23 +0000},
430 gezelter 4401 Doi = {http://dx.doi.org/10.1063/1.1605377},
431 gezelter 4408 Journal = {J. Chem. Phys.},
432 gezelter 4401 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 mlamichh 4397 @article{Chitanvis96,
442 gezelter 4401 Author = {Chitanvis, Shirish M.},
443 gezelter 4408 Date-Modified = {2016-03-30 19:31:46 +0000},
444 gezelter 4401 Doi = {http://dx.doi.org/10.1063/1.471615},
445 gezelter 4408 Journal = {J. Chem. Phys.},
446 gezelter 4401 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 mlamichh 4397
455     @book{Jackson98,
456 gezelter 4401 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 mlamichh 4397 @article{AduGyamfi78,
484 gezelter 4401 Author = {D. Adu-Gyamfi},
485 gezelter 4408 Date-Modified = {2016-03-30 19:36:57 +0000},
486 gezelter 4401 Doi = {http://dx.doi.org/10.1016/0378-4371(78)90175-9},
487     Issn = {0378-4371},
488 gezelter 4408 Journal = {Physica A},
489 gezelter 4401 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 mlamichh 4397
498     @article{AduGyamfi81,
499 gezelter 4401 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 gezelter 4408 Date-Modified = {2016-03-30 19:37:05 +0000},
502 gezelter 4401 Doi = {http://dx.doi.org/10.1016/0378-4371(81)90174-6},
503     Issn = {0378-4371},
504 gezelter 4408 Journal = {Physica A},
505 gezelter 4401 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 mlamichh 4397 @article{Stern-Feller03,
515 gezelter 4401 Author = {Stern, Harry A. and Feller, Scott E.},
516 gezelter 4408 Date-Modified = {2016-03-30 19:33:18 +0000},
517 gezelter 4401 Doi = {http://dx.doi.org/10.1063/1.1537244},
518 gezelter 4408 Journal = {J. Chem. Phys.},
519 gezelter 4401 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 mlamichh 4397
528     @article{SalvchovI14,
529 gezelter 4401 Author = {Slavchov, Radomir I. and Ivanov, Tzanko I.},
530 gezelter 4408 Date-Modified = {2016-03-30 19:33:57 +0000},
531 gezelter 4401 Doi = {http://dx.doi.org/10.1063/1.4865878},
532 gezelter 4408 Journal = {J. Chem. Phys.},
533 gezelter 4401 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 mlamichh 4397 @article{SalvchovII14,
543 gezelter 4401 Author = {Slavchov, Radomir I.},
544 gezelter 4408 Date-Modified = {2016-03-30 19:33:46 +0000},
545 gezelter 4401 Doi = {http://dx.doi.org/10.1063/1.4871661},
546 gezelter 4408 Journal = {J. Chem. Phys.},
547 gezelter 4401 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 mlamichh 4397
556     @article{Stern03,
557 gezelter 4401 Author = {Stern, Harry A. and Feller, Scott E.},
558 gezelter 4408 Date-Modified = {2016-03-30 19:33:26 +0000},
559 gezelter 4401 Doi = {http://dx.doi.org/10.1063/1.1537244},
560 gezelter 4408 Journal = {J. Chem. Phys.},
561 gezelter 4401 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 mlamichh 4397 @misc{openmd2.3,
586 gezelter 4401 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 mlamichh 4397 @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 gezelter 4408 Date-Modified = {2016-03-30 19:25:57 +0000},
605 mlamichh 4397 Doi = {10.1080/00268978100100701},
606 gezelter 4408 Journal = {Mol. Phys.},
607 mlamichh 4397 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 gezelter 4408 Date-Modified = {2016-03-30 19:25:46 +0000},
619 mlamichh 4397 Doi = {10.1080/00268978000102261},
620 gezelter 4408 Journal = {Mol. Phys.},
621 mlamichh 4397 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}}