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1 mlamichh 4114 %% This BibTeX bibliography file was created using BibDesk.
2     %% http://bibdesk.sourceforge.net/
3    
4    
5 gezelter 4167 %% Created for Dan Gezelter at 2014-06-03 15:03:24 -0400
6 mlamichh 4114
7    
8     %% Saved with string encoding Unicode (UTF-8)
9    
10    
11     @string{cpl = {Chem. Phys. Lett.}}
12    
13     @string{jctc = {J. Chem. Theory Comput.}}
14    
15     @string{jpcb = {J. Phys. Chem. B}}
16    
17     @string{jpcc = {J. Phys. Chem. C}}
18    
19     @string{mp = {Mol. Phys.}}
20    
21 gezelter 4167
22     @incollection{Wolf95,
23     Author = {Wolf, D.},
24     Booktitle = {Computer Simulation Studies in Condensed-Matter Physics VIII},
25     Date-Added = {2014-05-20 18:53:22 +0000},
26     Date-Modified = {2014-05-20 18:53:22 +0000},
27     Doi = {10.1007/978-3-642-79991-4_6},
28     Editor = {Landau, DavidP. and Mon, K.K. and Sch{\"u}ttler, Heinz-Bernd},
29     Isbn = {978-3-642-79993-8},
30     Language = {English},
31     Pages = {57-68},
32     Publisher = {Springer Berlin Heidelberg},
33     Series = {Springer Proceedings in Physics},
34     Title = {Simulation of Ionic Surfaces from an Absolutely Convergent Solution of the Madelung Problem},
35     Url = {http://dx.doi.org/10.1007/978-3-642-79991-4_6},
36     Volume = {80},
37     Year = {1995},
38     Bdsk-Url-1 = {http://dx.doi.org/10.1007/978-3-642-79991-4_6}}
39    
40     @article{Parry:1976fq,
41     Author = {D.E. Parry},
42     Date-Added = {2014-05-20 18:44:42 +0000},
43     Date-Modified = {2014-05-20 18:44:42 +0000},
44     Doi = {http://dx.doi.org/10.1016/0039-6028(76)90102-3},
45     Issn = {0039-6028},
46     Journal = {Surface Science},
47     Key = {tagkey1976195},
48     Number = {1},
49     Pages = {195},
50     Title = {Errata},
51     Url = {http://www.sciencedirect.com/science/article/pii/0039602876901023},
52     Volume = {54},
53     Year = {1976},
54     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602876901023},
55     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(76)90102-3}}
56    
57     @article{Parry:1975if,
58     Author = {D.E. Parry},
59     Date-Added = {2014-05-20 18:42:44 +0000},
60     Date-Modified = {2014-05-20 18:42:44 +0000},
61     Doi = {http://dx.doi.org/10.1016/0039-6028(75)90362-3},
62     Issn = {0039-6028},
63     Journal = {Surface Science},
64     Number = {2},
65     Pages = {433 - 440},
66     Title = {The electrostatic potential in the surface region of an ionic crystal},
67     Url = {http://www.sciencedirect.com/science/article/pii/0039602875903623},
68     Volume = {49},
69     Year = {1975},
70     Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602875903623},
71     Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(75)90362-3}}
72    
73     @article{Essmann:1995pb,
74     Author = {Essmann, Ulrich and Perera, Lalith and Berkowitz, Max L. and Darden, Tom and Lee, Hsing and Pedersen, Lee G.},
75     Date-Added = {2014-05-20 17:33:26 +0000},
76     Date-Modified = {2014-05-20 17:33:26 +0000},
77     Doi = {http://dx.doi.org/10.1063/1.470117},
78     Journal = {The Journal of Chemical Physics},
79     Number = {19},
80     Pages = {8577-8593},
81     Title = {A smooth particle mesh Ewald method},
82     Url = {http://scitation.aip.org/content/aip/journal/jcp/103/19/10.1063/1.470117},
83     Volume = {103},
84     Year = {1995},
85     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/103/19/10.1063/1.470117},
86     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.470117}}
87    
88     @article{Ponder:2010vl,
89     Author = {Ponder, Jay W. and Wu, Chuanjie and Ren, Pengyu and Pande, Vijay S. and Chodera, John D. and Schnieders, Michael J. and Haque, Imran and Mobley, David L. and Lambrecht, Daniel S. and DiStasio, Robert A. and Head-Gordon, Martin and Clark, Gary N. I. and Johnson, Margaret E. and Head-Gordon, Teresa},
90     Date-Added = {2014-05-20 17:32:49 +0000},
91     Date-Modified = {2014-05-20 17:32:49 +0000},
92     Doi = {10.1021/jp910674d},
93     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp910674d},
94     Journal = {The Journal of Physical Chemistry B},
95     Note = {PMID: 20136072},
96     Number = {8},
97     Pages = {2549-2564},
98     Title = {Current Status of the AMOEBA Polarizable Force Field},
99     Url = {http://pubs.acs.org/doi/abs/10.1021/jp910674d},
100     Volume = {114},
101     Year = {2010},
102     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp910674d},
103     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp910674d}}
104    
105     @article{Spohr:1997sf,
106     Author = {Spohr, E.},
107     Date-Added = {2014-05-20 17:32:27 +0000},
108     Date-Modified = {2014-05-20 17:32:27 +0000},
109     Doi = {http://dx.doi.org/10.1063/1.474295},
110     Journal = {The Journal of Chemical Physics},
111     Number = {16},
112     Pages = {6342-6348},
113     Title = {Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions},
114     Url = {http://scitation.aip.org/content/aip/journal/jcp/107/16/10.1063/1.474295},
115     Volume = {107},
116     Year = {1997},
117     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/107/16/10.1063/1.474295},
118     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.474295}}
119    
120     @article{Shi:2013ij,
121     Author = {Shi, Wei and Luebke, David R.},
122     Date-Added = {2014-05-20 17:31:47 +0000},
123     Date-Modified = {2014-05-20 17:31:47 +0000},
124     Doi = {10.1021/la400226g},
125     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/la400226g},
126     Journal = {Langmuir},
127     Number = {18},
128     Pages = {5563-5572},
129     Title = {Enhanced Gas Absorption in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide ([hmim][Tf2N]) Confined in Silica Slit Pores: A Molecular Simulation Study},
130     Url = {http://pubs.acs.org/doi/abs/10.1021/la400226g},
131     Volume = {29},
132     Year = {2013},
133     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/la400226g},
134     Bdsk-Url-2 = {http://dx.doi.org/10.1021/la400226g}}
135    
136     @article{Zahn:2002hc,
137     Author = {Zahn, Dirk and Schilling, Bernd and Kast, Stefan M.},
138     Date-Added = {2014-05-20 17:31:28 +0000},
139     Date-Modified = {2014-05-20 17:31:28 +0000},
140     Doi = {10.1021/jp025949h},
141     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp025949h},
142     Journal = {The Journal of Physical Chemistry B},
143     Number = {41},
144     Pages = {10725-10732},
145     Title = {Enhancement of the Wolf Damped Coulomb Potential:  Static, Dynamic, and Dielectric Properties of Liquid Water from Molecular Simulation},
146     Url = {http://pubs.acs.org/doi/abs/10.1021/jp025949h},
147     Volume = {106},
148     Year = {2002},
149     Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp025949h},
150     Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp025949h}}
151    
152     @article{Rhee:1989kl,
153     Author = {Rhee, Y.-J. and Halley, J. W. and Hautman, Joseph and Rahman, A.},
154     Date-Added = {2014-05-20 17:29:57 +0000},
155     Date-Modified = {2014-05-20 17:29:59 +0000},
156     Doi = {10.1103/PhysRevB.40.36},
157     Issue = {1},
158     Journal = {Phys. Rev. B},
159     Month = {Jul},
160     Numpages = {0},
161     Pages = {36--42},
162     Publisher = {American Physical Society},
163     Title = {Ewald methods in molecular dynamics for systems of finite extent in one of three dimensions},
164     Url = {http://link.aps.org/doi/10.1103/PhysRevB.40.36},
165     Volume = {40},
166     Year = {1989},
167     Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.40.36},
168     Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.40.36}}
169    
170     @article{Yeh:1999oq,
171     Author = {Yeh, In-Chul and Berkowitz, Max L.},
172     Date-Added = {2014-05-20 17:29:25 +0000},
173     Date-Modified = {2014-05-20 17:29:25 +0000},
174     Doi = {http://dx.doi.org/10.1063/1.479595},
175     Journal = {The Journal of Chemical Physics},
176     Number = {7},
177     Pages = {3155-3162},
178     Title = {Ewald summation for systems with slab geometry},
179     Url = {http://scitation.aip.org/content/aip/journal/jcp/111/7/10.1063/1.479595},
180     Volume = {111},
181     Year = {1999},
182     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/111/7/10.1063/1.479595},
183     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.479595}}
184    
185     @article{Wolf:1999dn,
186     Author = {Wolf, D. and Keblinski, P. and Phillpot, S. R. and Eggebrecht, J.},
187     Date-Added = {2014-05-20 17:28:54 +0000},
188     Date-Modified = {2014-05-20 17:28:54 +0000},
189     Doi = {http://dx.doi.org/10.1063/1.478738},
190     Journal = {The Journal of Chemical Physics},
191     Number = {17},
192     Pages = {8254-8282},
193     Title = {Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r−1 summation},
194     Url = {http://scitation.aip.org/content/aip/journal/jcp/110/17/10.1063/1.478738},
195     Volume = {110},
196     Year = {1999},
197     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/110/17/10.1063/1.478738},
198     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.478738}}
199    
200     @article{Kannam:2012rr,
201     Author = {Kannam, Sridhar Kumar and Todd, B. D. and Hansen, J. S. and Daivis, Peter J.},
202     Date-Added = {2014-05-20 17:28:19 +0000},
203     Date-Modified = {2014-05-20 17:28:19 +0000},
204     Doi = {http://dx.doi.org/10.1063/1.4730167},
205     Eid = 244704,
206     Journal = {The Journal of Chemical Physics},
207     Number = {24},
208     Pages = {-},
209     Title = {Interfacial slip friction at a fluid-solid cylindrical boundary},
210     Url = {http://scitation.aip.org/content/aip/journal/jcp/136/24/10.1063/1.4730167},
211     Volume = {136},
212     Year = {2012},
213     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/136/24/10.1063/1.4730167},
214     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4730167}}
215    
216     @article{Fennell:2006lq,
217     Author = {Fennell, Christopher J. and Gezelter, J. Daniel},
218     Date-Added = {2014-05-20 17:27:55 +0000},
219     Date-Modified = {2014-05-20 17:27:55 +0000},
220     Doi = {http://dx.doi.org/10.1063/1.2206581},
221     Eid = 234104,
222     Journal = {The Journal of Chemical Physics},
223     Number = {23},
224     Pages = {-},
225     Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
226     Url = {http://scitation.aip.org/content/aip/journal/jcp/124/23/10.1063/1.2206581},
227     Volume = {124},
228     Year = {2006},
229     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/124/23/10.1063/1.2206581},
230     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2206581}}
231    
232     @article{Darden:1993pd,
233     Author = {Darden, Tom and York, Darrin and Pedersen, Lee},
234     Date-Added = {2014-05-20 17:27:18 +0000},
235     Date-Modified = {2014-05-20 17:27:18 +0000},
236     Doi = {http://dx.doi.org/10.1063/1.464397},
237     Journal = {The Journal of Chemical Physics},
238     Number = {12},
239     Pages = {10089-10092},
240     Title = {Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems},
241     Url = {http://scitation.aip.org/content/aip/journal/jcp/98/12/10.1063/1.464397},
242     Volume = {98},
243     Year = {1993},
244     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/98/12/10.1063/1.464397},
245     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.464397}}
246    
247     @article{Clarke:1986eu,
248     Author = {Clarke, J. H. R. and Smith, W. and Woodcock, L. V.},
249     Date-Added = {2014-05-20 17:26:40 +0000},
250     Date-Modified = {2014-05-20 17:26:40 +0000},
251     Doi = {http://dx.doi.org/10.1063/1.450391},
252     Journal = {The Journal of Chemical Physics},
253     Number = {4},
254     Pages = {2290-2294},
255     Title = {Short range effective potentials for ionic fluids},
256     Url = {http://scitation.aip.org/content/aip/journal/jcp/84/4/10.1063/1.450391},
257     Volume = {84},
258     Year = {1986},
259     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/84/4/10.1063/1.450391},
260     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.450391}}
261    
262     @article{Fukuda:2013sf,
263     Author = {Fukuda, Ikuo},
264     Date-Added = {2014-05-20 17:25:01 +0000},
265     Date-Modified = {2014-05-20 17:25:01 +0000},
266     Doi = {http://dx.doi.org/10.1063/1.4827055},
267     Eid = 174107,
268     Journal = {The Journal of Chemical Physics},
269     Number = {17},
270     Pages = {-},
271     Title = {Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system},
272     Url = {http://scitation.aip.org/content/aip/journal/jcp/139/17/10.1063/1.4827055},
273     Volume = {139},
274     Year = {2013},
275     Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/139/17/10.1063/1.4827055},
276     Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4827055}}
277    
278 mlamichh 4114 @article{Woodcock75,
279 gezelter 4167 Author = {Woodcock, LV},
280     Journal = {Vol. 3Plenum, New York},
281     Pages = {1},
282     Title = {Advances in molten salt chemistry},
283     Year = {1975}}
284    
285 mlamichh 4114 @article{Takada93,
286 gezelter 4167 Author = {Shimada, Jiro and Kaneko, Hiroki and Takada, Toshikazu},
287     Journal = {Journal of computational chemistry},
288     Number = {7},
289     Pages = {867--878},
290     Publisher = {Wiley Online Library},
291     Title = {Efficient calculations of Coulombic interactions in biomolecular simulations with periodic boundary conditions},
292     Volume = {14},
293     Year = {1993}}
294    
295 mlamichh 4114 @article{Gunsteren94,
296 gezelter 4167 Author = {Luty, Brock A and Davis, Malcolm E and Tironi, Ilario G and Van Gunsteren, Wilfred F},
297     Journal = {Molecular Simulation},
298     Number = {1},
299     Pages = {11--20},
300     Publisher = {Taylor \& Francis},
301     Title = {A comparison of particle-particle, particle-mesh and Ewald methods for calculating electrostatic interactions in periodic molecular systems},
302     Volume = {14},
303     Year = {1994}}
304    
305 mlamichh 4114 @article{Gunsteren95,
306 gezelter 4167 Author = {Luty, Brock A and Tironi, Ilario G and van Gunsteren, Wilfred F},
307     Journal = {The Journal of chemical physics},
308     Number = {8},
309     Pages = {3014--3021},
310     Publisher = {AIP Publishing},
311     Title = {Lattice-sum methods for calculating electrostatic interactions in molecular simulations},
312     Volume = {103},
313     Year = {1995}}
314 mlamichh 4114
315     @article{Clarke77,
316 gezelter 4167 Author = {Heyes, David M and Barber, M and Clarke, JHR},
317     Journal = {Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics},
318     Number = {7},
319     Pages = {1485--1496},
320     Publisher = {Royal Society of Chemistry},
321     Title = {Molecular dynamics computer simulation of surface properties of crystalline potassium chloride},
322     Volume = {73},
323     Year = {1977}}
324    
325 mlamichh 4114 @article{Perram79,
326 gezelter 4167 Author = {De Leeuw, Simon W and Perram, John W},
327     Journal = {Molecular Physics},
328     Number = {4},
329     Pages = {1313--1322},
330     Publisher = {Taylor \& Francis},
331     Title = {Electrostatic lattice sums for semi-infinite lattices},
332     Volume = {37},
333     Year = {1979}}
334    
335 mlamichh 4114 @article{Wolf92,
336 gezelter 4167 Author = {Wolf, Dieter},
337     Journal = {Physical review letters},
338     Number = {22},
339     Pages = {3315--3318},
340     Title = {Reconstruction of NaCl surfaces from a dipolar solution to the Madelung problem},
341     Volume = {68},
342     Year = {1992}}
343 mlamichh 4114
344 gezelter 4167 @article{Acevedo13,
345     Author = {McCann, Billy W and Acevedo, Orlando},
346     Journal = {Journal of Chemical Theory and Computation},
347     Number = {2},
348     Pages = {944--950},
349     Publisher = {American Chemical Society},
350     Title = {Pairwise Alternatives to Ewald Summation for Calculating Long-Range Electrostatics in Ionic Liquids},
351     Volume = {9},
352     Year = {2013}}
353 mlamichh 4114
354     @article{Space12,
355 gezelter 4167 Author = {Forrest, Katherine A and Pham, Tony and McLaughlin, Keith and Belof, Jonathan L and Stern, Abraham C and Zaworotko, Michael J and Space, Brian},
356     Journal = {The Journal of Physical Chemistry C},
357     Number = {29},
358     Pages = {15538--15549},
359     Publisher = {ACS Publications},
360     Title = {Simulation of the Mechanism of Gas Sorption in a Metal--Organic Framework with Open Metal Sites: Molecular Hydrogen in PCN-61},
361     Volume = {116},
362     Year = {2012}}
363    
364 mlamichh 4114 @article{English08,
365 gezelter 4167 Author = {English, Niall J},
366     Journal = {Molecular Physics},
367     Number = {15},
368     Pages = {1887--1898},
369     Publisher = {Taylor \& Francis},
370     Title = {Effect of electrostatics techniques on the estimation of thermal conductivity via equilibrium molecular dynamics simulation: application to methane hydrate},
371     Volume = {106},
372     Year = {2008}}
373    
374 mlamichh 4114 @article{Lawrence13,
375 gezelter 4167 Author = {Louden, P and Schoenborn, R and Lawrence, CP},
376     Journal = {Fluid Phase Equilibria},
377     Pages = {83--86},
378     Publisher = {Elsevier},
379     Title = {Molecular dynamics simulations of the condensation coefficient of water},
380     Volume = {349},
381     Year = {2013}}
382    
383 mlamichh 4114 @inproceedings{Vergne13,
384 gezelter 4167 Author = {Tokumasu, Takashi and Meurisse, Marie-H{\'e}l{\`e}ne and Fillot, Nicolas and Vergne, Philippe and others},
385     Booktitle = {tribo-lyon2013 Conference},
386     Title = {Molecular Dynamics Study of Lubrication Phenomena of Nanoscale Liquid Bridge between Surfaces},
387     Year = {2013}}
388    
389 mlamichh 4114 @article{Ren06,
390 gezelter 4167 Author = {Golubkov, Pavel A and Ren, Pengyu},
391     Journal = {The Journal of chemical physics},
392     Number = {6},
393     Pages = {064103},
394     Publisher = {AIP Publishing},
395     Title = {Generalized coarse-grained model based on point multipole and Gay-Berne potentials},
396     Volume = {125},
397     Year = {2006}}
398    
399 mlamichh 4114 @article{Essex10,
400 gezelter 4167 Author = {Orsi, Mario and Michel, Julien and Essex, Jonathan W},
401     Journal = {Journal of Physics: Condensed Matter},
402     Number = {15},
403     Pages = {155106},
404     Publisher = {IOP Publishing},
405     Title = {Coarse-grain modelling of DMPC and DOPC lipid bilayers},
406     Volume = {22},
407     Year = {2010}}
408    
409 mlamichh 4114 @article{Essex11,
410 gezelter 4167 Author = {Orsi, Mario and Essex, Jonathan W},
411     Journal = {PloS one},
412     Number = {12},
413     Pages = {e28637},
414     Publisher = {Public Library of Science},
415     Title = {The ELBA force field for coarse-grain modeling of lipid membranes},
416     Volume = {6},
417     Year = {2011}}
418    
419 mlamichh 4114 @article{Ichiye10_1,
420 gezelter 4167 Author = {Te, Jerez A and Tan, Ming-Liang and Ichiye, Toshiko},
421     Journal = {Chemical physics letters},
422     Number = {4},
423     Pages = {218--223},
424     Publisher = {Elsevier},
425     Title = {Solvation of glucose, trehalose, and sucrose by the soft-sticky dipole--quadrupole--octupole water model},
426     Volume = {491},
427     Year = {2010}}
428    
429 mlamichh 4114 @article{Ichiye10_2,
430 gezelter 4167 Author = {Te, Jerez A and Ichiye, Toshiko},
431     Journal = {The Journal of chemical physics},
432     Number = {11},
433     Pages = {114511},
434     Publisher = {AIP Publishing},
435     Title = {Temperature and pressure dependence of the optimized soft-sticky dipole-quadrupole-octupole water model},
436     Volume = {132},
437     Year = {2010}}
438    
439 mlamichh 4114 @article{Ichiye10_3,
440 gezelter 4167 Author = {Te, Jerez A and Ichiye, Toshiko},
441     Journal = {Chemical physics letters},
442     Number = {4},
443     Pages = {219--225},
444     Publisher = {Elsevier},
445     Title = {Understanding structural effects of multipole moments on aqueous solvation of ions using the soft-sticky dipole--quadrupole--octupole water model},
446     Volume = {499},
447     Year = {2010}}
448 mlamichh 4114
449     @article{Gordon07,
450 gezelter 4167 Author = {Schnieders, Michael J and Baker, Nathan A and Ren, Pengyu and Ponder, Jay W},
451     Journal = {The Journal of chemical physics},
452     Number = {12},
453     Pages = {124114},
454     Publisher = {AIP Publishing},
455     Title = {Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum},
456     Volume = {126},
457     Year = {2007}}
458    
459 mlamichh 4114 @article{Smith80,
460 gezelter 4167 Abstract = {Modern standard reference for the Ewald sum.},
461     Added-At = {2007-06-15T17:33:15.000+0200},
462     Author = {{de Leeuw}, Simon W. and Perram, John W. and Smith, E. R.},
463     Biburl = {http://www.bibsonomy.org/bibtex/28ddf5ac6538eb4a6426790403f7c193f/kaigrass},
464     Interhash = {f6d7bd194ef65c5f7142d93eef865ea1},
465     Intrahash = {8ddf5ac6538eb4a6426790403f7c193f},
466     Journal = {Proc. R. Soc. Lond. A},
467     Keywords = {Ewald correction dipole sum,},
468     Pages = {27--56},
469     Timestamp = {2007-06-15T17:33:15.000+0200},
470     Title = {Simulation of electrostatic systems in periodic boundary conditions. {I}. Lattice sums and dielectric constants},
471     Volume = 373,
472     Year = 1980}
473    
474 mlamichh 4114 @article{Lacman65,
475 gezelter 4167 Author = {Lacman, R.},
476     Journal = {Colloq. Int. CNRS},
477     Pages = {195},
478     Volume = 152,
479     Year = 1965}
480 mlamichh 4114
481     @article{PaperI,
482 gezelter 4167 Author = {Lamichhane, Madan and Newman, Kathie E. and Gezelter, J. Daniel},
483     Journal = {The Journal of Chemical Physics},
484     Number = {-},
485     Pages = {-},
486     Title = {Real space alternatives to the Ewald Sum. I. Taylor-shifted and Gradient-shifted electrostatics for multipoles},
487     Volume = {-},
488     Year = {2014}}
489 mlamichh 4114
490 mlamichh 4166 @article{fisher53,
491 gezelter 4167 Author = {Fisher, Ronald},
492     Doi = {10.1098/rspa.1953.0064},
493     Eprint = {http://rspa.royalsocietypublishing.org/content/217/1130/295.full.pdf+html},
494     Journal = {Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences},
495     Number = {1130},
496     Pages = {295-305},
497     Title = {Dispersion on a Sphere},
498     Url = {http://rspa.royalsocietypublishing.org/content/217/1130/295.abstract},
499     Volume = {217},
500     Year = {1953},
501     Bdsk-Url-1 = {http://rspa.royalsocietypublishing.org/content/217/1130/295.abstract},
502     Bdsk-Url-2 = {http://dx.doi.org/10.1098/rspa.1953.0064}}
503    
504 mlamichh 4166 @article{Allen91,
505 gezelter 4167 Author = {Allen, F. H. and Doyle, M. J. and Taylor, R.},
506     Doi = {10.1107/S0108768190010357},
507     Journal = {Acta Crystallographica Section B},
508     Month = {Feb},
509     Number = {1},
510     Pages = {29--40},
511     Title = {{Automated conformational analysis from crystallographic data. 1. A symmetry-modified single-linkage clustering algorithm for three-dimensional pattern recognition}},
512     Url = {http://dx.doi.org/10.1107/S0108768190010357},
513     Volume = {47},
514     Year = {1991},
515     Bdsk-Url-1 = {http://dx.doi.org/10.1107/S0108768190010357}}