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1 %% This BibTeX bibliography file was created using BibDesk.
2 %% http://bibdesk.sourceforge.net/
3
4
5 %% Created for Dan Gezelter at 2014-06-03 15:03:24 -0400
6
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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
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 @article{Woodcock75,
279 Author = {Woodcock, LV},
280 Journal = {Vol. 3Plenum, New York},
281 Pages = {1},
282 Title = {Advances in molten salt chemistry},
283 Year = {1975}}
284
285 @article{Takada93,
286 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 @article{Gunsteren94,
296 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 @article{Gunsteren95,
306 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
315 @article{Clarke77,
316 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 @article{Perram79,
326 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 @article{Wolf92,
336 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
344 @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
354 @article{Space12,
355 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 @article{English08,
365 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 @article{Lawrence13,
375 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 @inproceedings{Vergne13,
384 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 @article{Ren06,
390 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 @article{Essex10,
400 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 @article{Essex11,
410 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 @article{Ichiye10_1,
420 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 @article{Ichiye10_2,
430 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 @article{Ichiye10_3,
440 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
449 @article{Gordon07,
450 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 @article{Smith80,
460 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 @article{Lacman65,
475 Author = {Lacman, R.},
476 Journal = {Colloq. Int. CNRS},
477 Pages = {195},
478 Volume = 152,
479 Year = 1965}
480
481 @article{PaperI,
482 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
490 @article{fisher53,
491 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 @article{Allen91,
505 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}}