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root/group/trunk/multipoleSFPaper/multipoleSFPaper.bib
Revision: 3065
Committed: Tue Oct 24 06:27:31 2006 UTC (17 years, 8 months ago) by chrisfen
File size: 107580 byte(s)
Log Message:
fixed the bib file and some references

File Contents

# User Rev Content
1 chrisfen 3064 %% This BibTeX bibliography file was created using BibDesk.
2     %% http://bibdesk.sourceforge.net/
3    
4    
5 chrisfen 3065 %% Created for Chris Fennell at 2006-10-24 02:26:23 -0400
6 chrisfen 3064
7    
8     %% Saved with string encoding Western (ASCII)
9    
10    
11     @string{acp = {Adv. Chem. Phys.}}
12    
13     @string{ccp5 = {CCP5 Information Quarterly}}
14    
15     @string{cp = {Chem. Phys.}}
16    
17     @string{cpl = {Chem. Phys. Lett.}}
18    
19     @string{jacs = {J. Am. Chem. Soc.}}
20    
21     @string{jcc = {J. Comp. Chem.}}
22    
23     @string{jcop = {J. Comp. Phys.}}
24    
25     @string{jcp = {J. Chem. Phys.}}
26    
27     @string{jml = {J. Mol. Liq.}}
28    
29     @string{jpc = {J. Phys. Chem.}}
30    
31     @string{jpca = {J. Phys. Chem. A}}
32    
33     @string{jpcb = {J. Phys. Chem. B}}
34    
35     @string{mp = {Mol. Phys.}}
36    
37     @string{pams = {Proc. Am. Math Soc.}}
38    
39     @string{pccp = {Phys. Chem. Chem. Phys.}}
40    
41     @string{pnas = {Proc. Natl. Acad. Sci. USA}}
42    
43     @string{pr = {Phys. Rev.}}
44    
45     @string{pra = {Phys. Rev. A}}
46    
47     @string{prb = {Phys. Rev. B}}
48    
49     @string{pre = {Phys. Rev. E}}
50    
51     @string{prl = {Phys. Rev. Lett.}}
52    
53     @string{rmp = {Rev. Mod. Phys.}}
54    
55    
56 chrisfen 3065 @article{Fennell05,
57     Author = {C.~J. Fennell and J.~D. Gezelter},
58     Date-Added = {2006-10-24 02:17:51 -0400},
59     Date-Modified = {2006-10-24 02:26:21 -0400},
60     Doi = {10.1021/ct050005s},
61     Journal = {J. Chem. Theory Comput.},
62     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_icei_05.pdf},
63     Number = {4},
64     Pages = {662-667},
65     Title = {Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice \uppercase{I}$_\textrm{h}$},
66     Volume = {1},
67     Year = {2005}}
68    
69 chrisfen 3064 @book{Tolman38,
70     Address = {New York},
71     Author = {R.~C. Tolman},
72     Date-Added = {2006-09-21 15:37:16 -0400},
73     Date-Modified = {2006-09-21 15:41:28 -0400},
74     Publisher = {Oxford University Press, Inc.},
75     Title = {The Principles of Statistical Mechanics},
76     Year = {1938}}
77    
78     @article{Beeman76,
79     Author = {D. Beeman},
80     Date-Added = {2006-09-20 14:44:19 -0400},
81     Date-Modified = {2006-09-20 14:45:33 -0400},
82     Journal = jcop,
83     Pages = {130-139},
84     Title = {Some Multistep Methods for Use in Molecular Dynamics Calculations},
85     Volume = {20},
86     Year = {1976}}
87    
88     @inproceedings{Berendsen86,
89     Address = {North Holland, Amsterdam},
90     Author = {H.~J.~C. Berendsen and W.~F. {van~Gunsteren}},
91     Booktitle = {Molecular Dynamics Simulations of Statistical Mechanics Systems},
92     Date-Added = {2006-09-20 14:11:30 -0400},
93     Date-Modified = {2006-09-20 14:19:19 -0400},
94     Editor = {G. Ciccotti and W.~G. Hoover},
95     Pages = {43-65},
96     Series = {Proceedings of the 97th Int. ``Enrico Fermi" School of Physics},
97     Title = {Practical algorithms for dynamics simulations},
98     Year = {1986}}
99    
100     @techreport{Gear66,
101     Address = {Argonne, IL},
102     Author = {C.~W. Gear},
103     Date-Added = {2006-09-20 14:00:35 -0400},
104     Date-Modified = {2006-09-20 14:05:03 -0400},
105     Institution = {Argonne National Laboratory},
106     Number = {ANL-7126},
107     Title = {The Numerical Integration of Ordinary Differential Equations of Various Orders},
108     Year = {1966}}
109    
110     @article{Abascal05,
111     Author = {J.~L.~F. Abascal and E. Sanz and R. {Garc\'{i}a Fern\'{a}ndez} and C. Vega},
112     Date-Added = {2006-09-18 14:20:06 -0400},
113     Date-Modified = {2006-09-18 14:27:13 -0400},
114     Doi = {10.1063/1.1931662},
115     Journal = jcp,
116     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2005/Abascal_Tip4p-Ice_05.pdf},
117     Number = {23},
118     Pages = {234511},
119     Title = {A potential model for the study of ices and amorphous water: \uppercase{TIP4P/I}ce},
120     Volume = {122},
121     Year = {2005}}
122    
123     @article{Vega05,
124     Author = {C. Vega and E. Sanz and J.~L.~F. Abascal},
125     Date-Added = {2006-09-18 09:40:15 -0400},
126     Date-Modified = {2006-09-18 09:41:55 -0400},
127     Doi = {10.1063/1.1862245},
128     Journal = jcp,
129     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2005/Vega_MeltTempModels_05.pdf},
130     Number = {11},
131     Pages = {114507},
132     Title = {The melting temperature of the most common models of water},
133     Volume = {122},
134     Year = {2005}}
135    
136     @article{Harvey98,
137     Author = {S.~C. Harvey and R.~K.-Z. Tan and T.~E. {Cheatham III}},
138     Date-Added = {2006-09-07 00:53:34 -0400},
139     Date-Modified = {2006-09-07 00:55:37 -0400},
140     Journal = jcc,
141     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Harvey_FlyingIceCube_98.pdf},
142     Number = {7},
143     Pages = {726-740},
144     Title = {The Flying Ice Cube: \uppercase{V}elocity Rescaling in Molecular Dynamics Leads to Violation of Energy Equipartition},
145     Volume = {19},
146     Year = {1998}}
147    
148     @article{Verlet68,
149     Author = {L. Verlet},
150     Date-Added = {2006-09-06 12:19:09 -0400},
151     Date-Modified = {2006-09-20 14:22:53 -0400},
152     Journal = pr,
153     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_EqCorrFunc_67.pdf},
154     Number = {1},
155     Pages = {201-214},
156     Title = {Computer ``Experiments" on Classical Fluids. \uppercase{II. E}quilibrium Correlation Functions},
157     Volume = {165},
158     Year = {1968}}
159    
160     @article{Verlet67,
161     Author = {L. Verlet},
162     Date-Added = {2006-09-06 12:16:19 -0400},
163     Date-Modified = {2006-09-20 14:22:43 -0400},
164     Journal = pr,
165     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_ClassicalFluids_67.pdf},
166     Number = {1},
167     Pages = {98-103},
168     Title = {Computer ``Experiments" on Classical Fluids. \uppercase{I. T}hermodynamic Properties of \uppercase{L}ennard-\uppercase{J}ones Molecules},
169     Volume = {159},
170     Year = {1967}}
171    
172     @article{Thompson83,
173     Author = {C.~J. Thompson},
174     Date-Added = {2006-09-06 11:59:49 -0400},
175     Date-Modified = {2006-09-06 12:02:07 -0400},
176     Journal = ccp5,
177     Pages = {20-28},
178     Title = {Use of neighbor lists in molecular dynamics},
179     Volume = {8},
180     Year = {1983}}
181    
182     @article{Krautler01,
183     Author = {V. Kr\"{a}utler and W.~F. {van Gunsteren} and P.~H. H\"{u}nenberger},
184     Date-Added = {2006-09-04 00:17:15 -0400},
185     Date-Modified = {2006-09-04 00:29:36 -0400},
186     Journal = jcc,
187     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Krautler_FastSHAKE_01.pdf},
188     Number = {5},
189     Pages = {501-508},
190     Title = {A Fast \uppercase{SHAKE} Algorithm to Solve Distance Constraint Equations for Small Molecules in Molecular Dynamics Simulations},
191     Volume = {22},
192     Year = {2001}}
193    
194     @article{Swope82,
195     Author = {W.~C. Swope and H.~C. Andersen and P.~H. Berens and K.~R. Wilson},
196     Date-Added = {2006-09-03 21:47:42 -0400},
197     Date-Modified = {2006-09-03 21:50:26 -0400},
198     Journal = jcp,
199     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Swope_VelocityVerlet_82.pdf},
200     Number = {1},
201     Pages = {637-649},
202     Title = {A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: \uppercase{A}pplication to small water clusters},
203     Volume = {76},
204     Year = {1982}}
205    
206     @article{Trotter59,
207     Author = {H.~F. Trotter},
208     Date-Added = {2006-09-03 18:05:35 -0400},
209     Date-Modified = {2006-09-03 18:07:32 -0400},
210     Journal = pams,
211     Pages = {545-551},
212     Title = {On the product of Semi-Groups of Operators},
213     Volume = {10},
214     Year = {1959}}
215    
216     @article{Barojas73,
217     Author = {J. Barojas and D. Levesque and B. Quentrec},
218     Date-Added = {2006-09-03 14:32:02 -0400},
219     Date-Modified = {2006-09-03 14:34:00 -0400},
220     Journal = pra,
221     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/OldPapers/Barojas_EulerSwitch_73.pdf},
222     Number = {3},
223     Pages = {1092-1105},
224     Title = {Simulation of Diatomic Homonuclear Liquids},
225     Volume = {7},
226     Year = {1973}}
227    
228     @article{Mezei92,
229     Author = {M. Mezei},
230     Date-Added = {2006-08-28 07:48:49 -0400},
231     Date-Modified = {2006-08-28 07:50:59 -0400},
232     Doi = {10.1002/jcc.540130515},
233     Journal = jcc,
234     Number = {5},
235     Pages = {651-656},
236     Title = {Polynomial path for the calculation of liquid state free energies from computer simulations tested on liquid water},
237     Volume = {13},
238     Year = {1992}}
239    
240     @article{Pauling35,
241     Author = {L. Pauling},
242     Date-Added = {2006-08-27 22:01:49 -0400},
243     Date-Modified = {2006-08-27 22:03:59 -0400},
244     Journal = jacs,
245     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ResidualEntropy/Pauling_ResidEntropy_33.pdf},
246     Pages = {2680-2684},
247     Title = {The Structure and Entropy of Ice and of Other Crystals with Some Randomness of Atomic Arrangement},
248     Volume = {57},
249     Year = {1935}}
250    
251     @article{Nada03,
252     Author = {H. Nada and J.~P.~J.~M. {van der Eerden}},
253     Date-Added = {2006-08-27 21:44:08 -0400},
254     Date-Modified = {2006-08-27 21:47:37 -0400},
255     Doi = {10.1063/1.1562610},
256     Journal = jcp,
257     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Nada_6siteH2O_03.pdf},
258     Number = {16},
259     Pages = {7401-7413},
260     Title = {An intermolecular potential model for the simulation of ice and water near the melting point: \uppercase{A} six-site model of \uppercase{H}$_2$\uppercase{O}},
261     Volume = {118},
262     Year = {2003}}
263    
264     @article{Kindt96,
265     Author = {J.~T. Kindt and C.~A. Schmuttenmaer},
266     Date-Added = {2006-08-27 13:55:26 -0400},
267     Date-Modified = {2006-08-27 13:56:35 -0400},
268     Journal = jpc,
269     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Kindt_FarIRDielectricOfPolarLiquids_96.pdf},
270     Number = {24},
271     Pages = {10373-10379},
272     Title = {Far-Infrared Dielectric Properties of Polar Liquids Probed by Femtosecond Terahertz Pulse Spectroscopy},
273     Volume = {100},
274     Year = {1996}}
275    
276     @article{Freddolino06,
277     Author = {P.~L. Freddolino and A.~S. Arkhipov and S.~B. Larson and A. McPherson and K. Schulten},
278     Date-Added = {2006-08-24 16:11:43 -0400},
279     Date-Modified = {2006-08-24 16:14:03 -0400},
280     Doi = {10.1016/j.str.2005.11.014},
281     Journal = {Structure},
282     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Freddolino_VirusSimulation_06.pdf},
283     Pages = {437-449},
284     Title = {Molecular Dynamics Simulations of the Complete Satellite Tobacco Mosaic Virus},
285     Volume = {14},
286     Year = {2006}}
287    
288     @article{Gillen72,
289     Author = {K.~T. Gillen and D.~C. Douglas and M.~J.~R. Hoch},
290     Date-Added = {2006-08-24 10:40:48 -0400},
291     Date-Modified = {2006-08-24 10:41:10 -0400},
292     Journal = jcp,
293     Pages = {5117-5119},
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298     @book{Rothschild84,
299     Address = {New York},
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301     Date-Added = {2006-08-24 10:35:25 -0400},
302     Date-Modified = {2006-08-24 10:35:25 -0400},
303     Publisher = {John Wiley \& Sons, Inc.},
304     Title = {Dynamics of Molecular Liquids},
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309     Date-Added = {2006-08-24 10:34:29 -0400},
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311     Journal = {Physica},
312     Pages = {167-178},
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315     Year = 1966}
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317     @book{Eisenberg69,
318     Address = {Oxford},
319     Author = {D. Eisenberg and W. Kauzmann},
320     Date-Added = {2006-08-24 10:33:59 -0400},
321     Date-Modified = {2006-08-24 10:33:59 -0400},
322     Publisher = {Oxford University Press},
323     Title = {The Structure and Properties of Water},
324     Year = 1969}
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326     @article{Mills73,
327     Author = {R. Mills},
328     Date-Added = {2006-08-24 10:24:33 -0400},
329     Date-Modified = {2006-08-24 10:25:04 -0400},
330     Journal = jpc,
331     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Mills_Diffuse_73.pdf},
332     Number = 5,
333     Pages = {685-688},
334     Title = {Self-Diffusion in Normal and Heavy Water in the Range 1-45$^\circ$},
335     Volume = 77,
336     Year = 1973}
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339     Author = {J. Barriol and A. Weisbecker},
340     Date-Added = {2006-08-24 10:23:25 -0400},
341     Date-Modified = {2006-08-24 10:23:39 -0400},
342     Journal = {Compt. Rend. Acad. Sc. Paris},
343     Pages = {4643-4645},
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348     @article{Badyal00,
349     Author = {Y.~S. Badyal and M.~-L. Saboungi and D.~L. Price and S.~D. Shastri and D.~R. Haeffner and A.~K. Soper},
350     Date-Added = {2006-08-24 10:21:10 -0400},
351     Date-Modified = {2006-08-24 10:22:49 -0400},
352     Journal = jcp,
353     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Badyal_ElectronDistributionInH2O_00.pdf},
354     Number = 21,
355     Pages = {9206-9208},
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362     Date-Added = {2006-08-24 10:17:41 -0400},
363     Date-Modified = {2006-08-24 10:18:37 -0400},
364     Journal = jcp,
365     Number = 11,
366     Pages = {5290-5302},
367     Title = {The total molecular dipole moment for liquid water},
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373     Date-Added = {2006-08-24 10:10:41 -0400},
374     Date-Modified = {2006-08-24 10:17:06 -0400},
375     Journal = jcp,
376     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Sprik_HBondingAndStaticDielectricInH2O_91.pdf},
377     Number = 9,
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386     Date-Modified = {2006-08-24 10:08:37 -0400},
387     Journal = jcp,
388     Number = 19,
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396     Date-Added = {2006-08-24 10:03:48 -0400},
397     Date-Modified = {2006-08-24 10:09:05 -0400},
398     Journal = jcp,
399     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Ice_Simulations/Rahman_ProtonDistributionInIce_72.pdf},
400     Number = 9,
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408     Date-Added = {2006-08-24 09:58:00 -0400},
409     Date-Modified = {2006-08-24 09:59:43 -0400},
410     Journal = jcp,
411     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/OldPapers/Bernal_TheoryOfWater_33.pdf},
412     Number = {8},
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415     Volume = {1},
416     Year = {1933}}
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429     @article{Fennell06,
430     Author = {C.~J. Fennell and J.~D. Gezelter},
431     Date-Added = {2006-08-24 09:49:57 -0400},
432     Date-Modified = {2006-08-24 09:49:57 -0400},
433     Doi = {10.1063/1.2206581},
434     Journal = jcp,
435     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_PairwiseSummationMethods_06.pdf},
436     Number = {23},
437     Pages = {234104(12)},
438     Rating = {5},
439     Read = {Yes},
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442     Year = {2006}}
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444     @article{Evans77b,
445     Author = {D.~J. Evans and S. Murad},
446     Date-Added = {2006-08-22 14:23:16 -0400},
447     Date-Modified = {2006-08-22 14:23:16 -0400},
448     Journal = mp,
449     Pages = {327-331},
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455     Author = {A. Aguado and P.~A. Madden},
456     Date-Added = {2006-08-16 10:42:15 -0400},
457     Date-Modified = {2006-08-16 10:43:56 -0400},
458     Doi = {10.1063/1.1605941},
459     Journal = jcp,
460     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Aguado_MultipoleEwald_03.pdf},
461     Number = {14},
462     Pages = {7471-7483},
463     Title = {Ewald summation of electrostatic multipole interactions up to the quadrupolar level},
464     Volume = {119},
465     Year = {2003}}
466    
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468     Author = {W. Smith},
469     Date-Added = {2006-08-16 10:02:44 -0400},
470     Date-Modified = {2006-10-23 23:29:30 -0400},
471     Journal = {CCP5 Information Quarterly},
472     Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Smith_PointMultipoleEwald_98.pdf},
473     Pages = {18-30},
474     Title = {Point multipoles in the \uppercase{E}wald summation (Revisited)},
475     Volume = {46},
476     Year = {1998}}
477    
478     @book{Stone02,
479     Address = {Oxford},
480     Author = {A.~J. Stone},
481     Date-Added = {2006-08-14 18:14:32 -0400},
482     Date-Modified = {2006-10-23 13:56:08 -0400},
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700     Journal = jcp,
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951     Journal = jcp,
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