[ViewVC] Diff of: group/trunk/chrisDissertation/dissertation.bib

Comparing trunk/chrisDissertation/dissertation.bib (file contents):
Revision 2987 by chrisfen, Wed Aug 30 22:36:06 2006 UTC vs.
Revision 3029 by chrisfen, Wed Sep 27 14:43:49 2006 UTC

#	Line 2 \| Line 2
2		%% http://bibdesk.sourceforge.net/
3
4
5	<	%% Created for Chris Fennell at 2006-08-28 10:33:08 -0400
5	>	%% Created for Chris Fennell at 2006-09-27 10:13:35 -0400
6
7
8		%% Saved with string encoding Western (ASCII)
9
10
11	<	@string{acp = {Adv. Chem. Phys.}}
11	>	@string{acp = {Adv. Chem. Phys.}}
12
13	<	@string{cp = {Chem. Phys.}}
13	>	@string{ccp5 = {CCP5 Quarterly}}
14
15	<	@string{cpl = {Chem. Phys. Lett.}}
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. Comput. Chem.}}
21	>	@string{jcc = {J. Comp. Chem.}}
22
23	<	@string{jcp = {J. Chem. Phys.}}
23	>	@string{jcp = {J. Chem. Phys.}}
24
25	<	@string{jml = {J. Mol. Liq.}}
25	>	@string{jcop = {J. Comp. Phys.}}
26
27	<	@string{jpc = {J. Phys. Chem.}}
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.}}
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{pra = {Phys. Rev. A}}
43	>	@string{pr = {Phys. Rev.}}
44
45	<	@string{prb = {Phys. Rev. B}}
45	>	@string{pra = {Phys. Rev. A}}
46
47	<	@string{pre = {Phys. Rev. E}}
47	>	@string{prb = {Phys. Rev. B}}
48
49	<	@string{prl = {Phys. Rev. Lett.}}
49	>	@string{pre = {Phys. Rev. E}}
50
51	<	@string{rmp = {Rev. Mod. Phys.}}
51	>	@string{prl = {Phys. Rev. Lett.}}
52
53	+	@string{rmp = {Rev. Mod. Phys.}}
54
55	+
56	+	@book{Tolman38,
57	+	Address = {New York},
58	+	Author = {R.~C. Tolman},
59	+	Date-Added = {2006-09-21 15:37:16 -0400},
60	+	Date-Modified = {2006-09-21 15:41:28 -0400},
61	+	Publisher = {Oxford University Press, Inc.},
62	+	Title = {The Principles of Statistical Mechanics},
63	+	Year = {1938}}
64	+
65	+	@article{Beeman76,
66	+	Author = {D. Beeman},
67	+	Date-Added = {2006-09-20 14:44:19 -0400},
68	+	Date-Modified = {2006-09-20 14:45:33 -0400},
69	+	Journal = jcop,
70	+	Pages = {130-139},
71	+	Title = {Some Multistep Methods for Use in Molecular Dynamics Calculations},
72	+	Volume = {20},
73	+	Year = {1976}}
74	+
75	+	@inproceedings{Berendsen86,
76	+	Address = {North Holland, Amsterdam},
77	+	Author = {H.~J.~C. Berendsen and W.~F. {van~Gunsteren}},
78	+	Booktitle = {Molecular Dynamics Simulations of Statistical Mechanics Systems},
79	+	Date-Added = {2006-09-20 14:11:30 -0400},
80	+	Date-Modified = {2006-09-20 14:19:19 -0400},
81	+	Editor = {G. Ciccotti and W.~G. Hoover},
82	+	Pages = {43-65},
83	+	Series = {Proceedings of the 97th Int. ``Enrico Fermi" School of Physics},
84	+	Title = {Practical algorithms for dynamics simulations},
85	+	Year = {1986}}
86	+
87	+	@techreport{Gear66,
88	+	Address = {Argonne, IL},
89	+	Author = {C.~W. Gear},
90	+	Date-Added = {2006-09-20 14:00:35 -0400},
91	+	Date-Modified = {2006-09-20 14:05:03 -0400},
92	+	Institution = {Argonne National Laboratory},
93	+	Number = {ANL-7126},
94	+	Title = {The Numerical Integration of Ordinary Differential Equations of Various Orders},
95	+	Year = {1966}}
96	+
97	+	@article{Abascal05,
98	+	Author = {J.~L.~F. Abascal and E. Sanz and R. {Garc\'{i}a Fern\'{a}ndez} and C. Vega},
99	+	Date-Added = {2006-09-18 14:20:06 -0400},
100	+	Date-Modified = {2006-09-18 14:27:13 -0400},
101	+	Doi = {10.1063/1.1931662},
102	+	Journal = jcp,
103	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2005/Abascal_Tip4p-Ice_05.pdf},
104	+	Number = {23},
105	+	Pages = {234511},
106	+	Title = {A potential model for the study of ices and amorphous water: \uppercase{TIP4P/I}ce},
107	+	Volume = {122},
108	+	Year = {2005}}
109	+
110	+	@article{Vega05,
111	+	Author = {C. Vega and E. Sanz and J.~L.~F. Abascal},
112	+	Date-Added = {2006-09-18 09:40:15 -0400},
113	+	Date-Modified = {2006-09-18 09:41:55 -0400},
114	+	Doi = {10.1063/1.1862245},
115	+	Journal = jcp,
116	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2005/Vega_MeltTempModels_05.pdf},
117	+	Number = {11},
118	+	Pages = {114507},
119	+	Title = {The melting temperature of the most common models of water},
120	+	Volume = {122},
121	+	Year = {2005}}
122	+
123	+	@article{Harvey98,
124	+	Author = {S.~C. Harvey and R.~K.-Z. Tan and T.~E. {Cheatham III}},
125	+	Date-Added = {2006-09-07 00:53:34 -0400},
126	+	Date-Modified = {2006-09-07 00:55:37 -0400},
127	+	Journal = jcc,
128	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Harvey_FlyingIceCube_98.pdf},
129	+	Number = {7},
130	+	Pages = {726-740},
131	+	Title = {The Flying Ice Cube: \uppercase{V}elocity Rescaling in Molecular Dynamics Leads to Violation of Energy Equipartition},
132	+	Volume = {19},
133	+	Year = {1998}}
134	+
135	+	@article{Verlet68,
136	+	Author = {L. Verlet},
137	+	Date-Added = {2006-09-06 12:19:09 -0400},
138	+	Date-Modified = {2006-09-20 14:22:53 -0400},
139	+	Journal = pr,
140	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_EqCorrFunc_67.pdf},
141	+	Number = {1},
142	+	Pages = {201-214},
143	+	Title = {Computer ``Experiments" on Classical Fluids. \uppercase{II. E}quilibrium Correlation Functions},
144	+	Volume = {165},
145	+	Year = {1968}}
146	+
147	+	@article{Verlet67,
148	+	Author = {L. Verlet},
149	+	Date-Added = {2006-09-06 12:16:19 -0400},
150	+	Date-Modified = {2006-09-20 14:22:43 -0400},
151	+	Journal = pr,
152	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Verlet_ClassicalFluids_67.pdf},
153	+	Number = {1},
154	+	Pages = {98-103},
155	+	Title = {Computer ``Experiments" on Classical Fluids. \uppercase{I. T}hermodynamic Properties of \uppercase{L}ennard-\uppercase{J}ones Molecules},
156	+	Volume = {159},
157	+	Year = {1967}}
158	+
159	+	@article{Thompson83,
160	+	Author = {C.~J. Thompson},
161	+	Date-Added = {2006-09-06 11:59:49 -0400},
162	+	Date-Modified = {2006-09-06 12:02:07 -0400},
163	+	Journal = ccp5,
164	+	Pages = {20-28},
165	+	Title = {Use of neighbor lists in molecular dynamics},
166	+	Volume = {8},
167	+	Year = {1983}}
168	+
169	+	@article{Krautler01,
170	+	Author = {V. Kr\"{a}utler and W.~F. {van Gunsteren} and P.~H. H\"{u}nenberger},
171	+	Date-Added = {2006-09-04 00:17:15 -0400},
172	+	Date-Modified = {2006-09-04 00:29:36 -0400},
173	+	Journal = jcc,
174	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Krautler_FastSHAKE_01.pdf},
175	+	Number = {5},
176	+	Pages = {501-508},
177	+	Title = {A Fast \uppercase{SHAKE} Algorithm to Solve Distance Constraint Equations for Small Molecules in Molecular Dynamics Simulations},
178	+	Volume = {22},
179	+	Year = {2001}}
180	+
181	+	@article{Swope82,
182	+	Author = {W.~C. Swope and H.~C. Andersen and P.~H. Berens and K.~R. Wilson},
183	+	Date-Added = {2006-09-03 21:47:42 -0400},
184	+	Date-Modified = {2006-09-03 21:50:26 -0400},
185	+	Journal = jcp,
186	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Swope_VelocityVerlet_82.pdf},
187	+	Number = {1},
188	+	Pages = {637-649},
189	+	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},
190	+	Volume = {76},
191	+	Year = {1982}}
192	+
193	+	@article{Trotter59,
194	+	Author = {H.~F. Trotter},
195	+	Date-Added = {2006-09-03 18:05:35 -0400},
196	+	Date-Modified = {2006-09-03 18:07:32 -0400},
197	+	Journal = pams,
198	+	Pages = {545-551},
199	+	Title = {On the product of Semi-Groups of Operators},
200	+	Volume = {10},
201	+	Year = {1959}}
202	+
203	+	@article{Barojas73,
204	+	Author = {J. Barojas and D. Levesque and B. Quentrec},
205	+	Date-Added = {2006-09-03 14:32:02 -0400},
206	+	Date-Modified = {2006-09-03 14:34:00 -0400},
207	+	Journal = pra,
208	+	Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/OldPapers/Barojas_EulerSwitch_73.pdf},
209	+	Number = {3},
210	+	Pages = {1092-1105},
211	+	Title = {Simulation of Diatomic Homonuclear Liquids},
212	+	Volume = {7},
213	+	Year = {1973}}
214	+
215		@article{Mezei92,
216		Author = {M. Mezei},
217		Date-Added = {2006-08-28 07:48:49 -0400},
218		Date-Modified = {2006-08-28 07:50:59 -0400},
219		Doi = {10.1002/jcc.540130515},
220	<	Journal = {J. Comp. Chem.},
220	>	Journal = jcc,
221		Number = {5},
222		Pages = {651-656},
223		Title = {Polynomial path for the calculation of liquid state free energies from computer simulations tested on liquid water},
#	Line 61 \| Line 228
228		Author = {L. Pauling},
229		Date-Added = {2006-08-27 22:01:49 -0400},
230		Date-Modified = {2006-08-27 22:03:59 -0400},
231	<	Journal = {J. Am. Chem. Soc.},
231	>	Journal = jacs,
232		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ResidualEntropy/Pauling_ResidEntropy_33.pdf},
233		Pages = {2680-2684},
234		Title = {The Structure and Entropy of Ice and of Other Crystals with Some Randomness of Atomic Arrangement},
#	Line 73 \| Line 240
240		Date-Added = {2006-08-27 21:44:08 -0400},
241		Date-Modified = {2006-08-27 21:47:37 -0400},
242		Doi = {10.1063/1.1562610},
243	<	Journal = {J. Chem. Phys.},
243	>	Journal = jcp,
244		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Nada_6siteH2O_03.pdf},
245		Number = {16},
246		Pages = {7401-7413},
#	Line 85 \| Line 252
252		Author = {J.~T. Kindt and C.~A. Schmuttenmaer},
253		Date-Added = {2006-08-27 13:55:26 -0400},
254		Date-Modified = {2006-08-27 13:56:35 -0400},
255	<	Journal = {J. Phys. Chem.},
255	>	Journal = jpc,
256		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Kindt_FarIRDielectricOfPolarLiquids_96.pdf},
257		Number = {24},
258		Pages = {10373-10379},
#	Line 227 \| Line 394
394		Author = {J.~D. Bernal and R.~H. Fowler},
395		Date-Added = {2006-08-24 09:58:00 -0400},
396		Date-Modified = {2006-08-24 09:59:43 -0400},
397	<	Journal = {J. Chem. Phys.},
397	>	Journal = jcp,
398		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/OldPapers/Bernal_TheoryOfWater_33.pdf},
399		Number = {8},
400		Pages = {515-548},
#	Line 251 \| Line 418
418		Date-Added = {2006-08-24 09:49:57 -0400},
419		Date-Modified = {2006-08-24 09:49:57 -0400},
420		Doi = {10.1063/1.2206581},
421	<	Journal = {J. Chem. Phys.},
421	>	Journal = jcp,
422		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Fennell_PairwiseSummationMethods_06.pdf},
423		Number = {23},
424		Pages = {234104(12)},
#	Line 265 \| Line 432
432		Author = {D.~J. Evans and S. Murad},
433		Date-Added = {2006-08-22 14:23:16 -0400},
434		Date-Modified = {2006-08-22 14:23:16 -0400},
435	<	Journal = {Mol. Phys.},
435	>	Journal = mp,
436		Pages = {327-331},
437		Title = {Singularity-free algorithm for molecular dynamics simulation of rigid polyatomics},
438		Volume = 34,
#	Line 276 \| Line 443
443		Date-Added = {2006-08-16 10:42:15 -0400},
444		Date-Modified = {2006-08-16 10:43:56 -0400},
445		Doi = {10.1063/1.1605941},
446	<	Journal = {J. Chem. Phys.},
446	>	Journal = jcp,
447		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Aguado_MultipoleEwald_03.pdf},
448		Number = {14},
449		Pages = {7471-7483},
#	Line 314 \| Line 481
481		@article{Ryckaert77,
482		Author = {J.-P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen},
483		Date-Added = {2006-08-06 17:05:44 -0400},
484	<	Date-Modified = {2006-08-06 17:08:35 -0400},
484	>	Date-Modified = {2006-09-27 10:08:56 -0400},
485		Doi = {10.1016/0021-9991(77)90098-5},
486	<	Journal = {J. Comput. Phys.},
486	>	Journal = jcop,
487		Month = {March},
488		Number = {3},
489		Pages = {327-341},
490	<	Title = {Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of {\it n}-alkanes},
490	>	Title = {Numerical integration of the cartesian equations of motion of a system with constraints: \uppercase{m}olecular dynamics of {\it n}-alkanes},
491		Volume = {23},
492		Year = {1977}}
493
#	Line 328 \| Line 495
495		Author = {R.~W. Impey and P.~A. Madden and I.~R. McDonald},
496		Date-Added = {2006-08-03 08:42:21 -0400},
497		Date-Modified = {2006-08-03 08:44:06 -0400},
498	<	Journal = {Mol. Phys.},
498	>	Journal = mp,
499		Number = {3},
500		Pages = {513-539},
501		Title = {Spectroscopic and transport properties of water: \uppercase{M}odel calculations and the interpretation of experimental results},
#	Line 339 \| Line 506
506		Author = {K. Laasonen and M. Sprik and M. Parrinello and R. Car},
507		Date-Added = {2006-08-02 08:23:46 -0400},
508		Date-Modified = {2006-08-02 13:09:18 -0400},
509	<	Journal = {J. Chem. Phys.},
509	>	Journal = jcp,
510		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Laasonen_AbInitioLiquidWater_93.pdf},
511		Number = {11},
512		Pages = {9080-9089},
#	Line 352 \| Line 519
519		Date-Added = {2006-08-02 08:15:11 -0400},
520		Date-Modified = {2006-08-02 08:16:16 -0400},
521		Doi = {www.pnas.org/cgi/doi/10.1073/pnas.0602982103},
522	<	Journal = {Proc. Natl. Acad. Sci. USA},
522	>	Journal = pnas,
523		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Donchev_QuantumWater_06.pdf},
524		Number = {23},
525		Pages = {8613-8617},
#	Line 375 \| Line 542
542		Author = {M. Neumann and O. Steinhauser},
543		Date-Added = {2006-08-01 17:17:52 -0400},
544		Date-Modified = {2006-08-01 17:18:51 -0400},
545	<	Journal = {Mol. Phys.},
545	>	Journal = mp,
546		Number = {2},
547		Pages = {437-454},
548		Title = {The influence of boundary conditions used in machine simulations on the structure of polar systems},
#	Line 386 \| Line 553
553		Author = {M. Neumann},
554		Date-Added = {2006-08-01 17:16:51 -0400},
555		Date-Modified = {2006-08-01 17:17:45 -0400},
556	<	Journal = {Mol. Phys.},
556	>	Journal = mp,
557		Number = {4},
558		Pages = {841-858},
559		Title = {Dipole moment fluctuation formulas in computer simulations of polar systems},
#	Line 421 \| Line 588
588		Author = {M. Neumann and O. Steinhauser and G.~S. Pawley},
589		Date-Added = {2006-07-31 10:22:39 -0400},
590		Date-Modified = {2006-07-31 10:24:17 -0400},
591	<	Journal = {Mol. Phys.},
591	>	Journal = mp,
592		Number = {1},
593		Pages = {97-113},
594		Title = {Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations},
#	Line 432 \| Line 599
599		Author = {M. Neumann},
600		Date-Added = {2006-07-31 10:19:17 -0400},
601		Date-Modified = {2006-08-02 13:17:58 -0400},
602	<	Journal = {J. Chem. Phys.},
602	>	Journal = jcp,
603		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/DielectricConst./Neumann_H2ODielConst_85.pdf},
604		Number = {12},
605		Pages = {5663-5672},
#	Line 456 \| Line 623
623		Author = {J.~M. Sorenson and G. Hura and R.~M. Glaeser and T. Head-Gordon},
624		Date-Added = {2006-07-21 11:41:31 -0400},
625		Date-Modified = {2006-07-21 11:44:44 -0400},
626	<	Journal = {J. Chem. Phys.},
626	>	Journal = jcp,
627		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/THGord_X-RayRadial_2000.pdf},
628		Number = {20},
629		Pages = {9149-9161},
#	Line 479 \| Line 646
646		Date-Added = {2006-07-20 15:28:29 -0400},
647		Date-Modified = {2006-07-20 15:29:45 -0400},
648		Doi = {10.1021/jp062700h},
649	<	Journal = {J. Phys. Chem. B},
649	>	Journal = jpcb,
650		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Shi_MixedAtomisticCGIonChannel_06.pdf},
651		Title = {Mixed Atomistic and Coarse-Grained Molecular Dynamics: Simulation of a Membrane-Bound Ion Channel},
652		Year = {2006}}
#	Line 489 \| Line 656
656		Date-Added = {2006-07-20 15:22:45 -0400},
657		Date-Modified = {2006-07-20 15:24:22 -0400},
658		Doi = {10.1063/1.2215614},
659	<	Journal = {J. Chem. Phys.},
659	>	Journal = jcp,
660		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Weis_OrientationalOrderHardSphereDipole_06.pdf},
661		Number = {3},
662		Pages = {034504},
#	Line 502 \| Line 669
669		Date-Added = {2006-07-18 10:49:48 -0400},
670		Date-Modified = {2006-08-19 19:34:36 -0400},
671		Doi = {10.1063/1.1652434},
672	<	Journal = {J. Chem. Phys.},
672	>	Journal = jcp,
673		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Rick_TIP5P-E_04.pdf},
674		Number = {13},
675		Pages = {6085-6093},
#	Line 515 \| Line 682
682		Date-Added = {2006-07-18 10:18:42 -0400},
683		Date-Modified = {2006-07-18 14:21:48 -0400},
684		Doi = {10.1063/1.1683075},
685	<	Journal = {J. Chem. Phys.},
685	>	Journal = jcp,
686		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Horn_TIP4P-Ew_04.pdf},
687		Number = {20},
688		Pages = {9665-9678},
#	Line 528 \| Line 695
695		Date-Added = {2006-04-26 09:41:52 -0400},
696		Date-Modified = {2006-07-18 14:29:43 -0400},
697		Doi = {10.1016/j.cplett.2004.10.086},
698	<	Journal = {Chem. Phys. Lett.},
698	>	Journal = cpl,
699		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Brodka_PointDipoleSlabEwald_04.pdf},
700		Pages = {62-67},
701		Title = {\uppercase{E}wald summation method with electrostatic layer correction for interactions of point dipoles in slab geometry},
#	Line 540 \| Line 707
707		Date-Added = {2006-04-26 09:40:15 -0400},
708		Date-Modified = {2006-07-18 14:35:47 -0400},
709		Doi = {10.1063/1.149195},
710	<	Journal = {J. Chem. Phys.},
710	>	Journal = jcp,
711		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Joannis_SlabElectrostatics_02.pdf},
712		Number = {6},
713		Pages = {2503-2512},
#	Line 552 \| Line 719
719		Author = {M. Kawata and M. Mikami},
720		Date-Added = {2006-04-26 09:38:01 -0400},
721		Date-Modified = {2006-07-18 14:31:24 -0400},
722	<	Journal = {Chem. Phys. Lett.},
722	>	Journal = cpl,
723		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Kawata_Rapid2DEwald_01.pdf},
724		Pages = {157-164},
725		Title = {Rapid calculation of two-dimensional \uppercase{E}wald summation},
#	Line 564 \| Line 731
731		Date-Added = {2006-04-26 09:36:09 -0400},
732		Date-Modified = {2006-07-18 14:29:18 -0400},
733		Doi = {10.1063/1.149195},
734	<	Journal = {J. Chem. Phys.},
734	>	Journal = jcp,
735		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Arnold_SlabElectrostatics_02.pdf},
736		Number = {6},
737		Pages = {2496-2502},
#	Line 586 \| Line 753
753		Author = {N. Karasawa and W.~A. {Goddard III}},
754		Date-Added = {2006-03-21 09:11:44 -0500},
755		Date-Modified = {2006-03-21 09:13:00 -0500},
756	<	Journal = {J. Phys. Chem.},
756	>	Journal = jpc,
757		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Karasawa_LatticSumConvergence_89.pdf},
758		Pages = {7320-7327},
759		Title = {Acceleration of Convergence for Lattice Sums},
#	Line 607 \| Line 774
774		@article{Rokhlin85,
775		Author = {V. Rokhlin},
776		Date-Added = {2006-03-19 20:02:25 -0500},
777	<	Date-Modified = {2006-03-19 20:04:19 -0500},
777	>	Date-Modified = {2006-09-05 22:30:02 -0400},
778		Doi = {10.1016/0021-9991(85)90002-6},
779	<	Journal = {J. Comput. Phys.},
779	>	Journal = jcop,
780		Month = {September},
781		Number = {2},
782		Pages = {187-207},
#	Line 642 \| Line 809
809		Author = {B.~A. Luty and W.~F. {van~Gunsteren}},
810		Date-Added = {2006-03-18 20:59:19 -0500},
811		Date-Modified = {2006-03-18 21:00:33 -0500},
812	<	Journal = {J. Phys. Chem.},
812	>	Journal = jpc,
813		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_PPPMElectrostaticCalculations_96.pdf},
814		Number = {7},
815		Pages = {2581-2587},
#	Line 666 \| Line 833
833		Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
834		Date-Added = {2006-03-18 20:14:24 -0500},
835		Date-Modified = {2006-07-18 15:03:36 -0400},
836	<	Journal = {J. Chem. Phys.},
836	>	Journal = jcp,
837		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Hunenberger_IonSolutionEwaldArtifacts_99.pdf},
838		Number = {4},
839		Pages = {1856-1872},
#	Line 678 \| Line 845
845		Author = {J.~E. Roberts and J. Schnitker},
846		Date-Added = {2006-03-18 20:12:23 -0500},
847		Date-Modified = {2006-07-18 15:11:50 -0400},
848	<	Journal = {J. Phys. Chem.},
848	>	Journal = jpc,
849		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Roberts_BoundryConditionsIonWater_95.pdf},
850		Pages = {1322-1331},
851		Title = {Boundary Conditions in Sumulations of Aqueous Ionic Solutions: $\mbox{A}$ Systematic Study},
#	Line 689 \| Line 856
856		Author = {J.~E. Roberts and J. Schnitker},
857		Date-Added = {2006-03-18 20:10:37 -0500},
858		Date-Modified = {2006-03-18 20:12:19 -0500},
859	<	Journal = {J. Chem. Phys.},
859	>	Journal = jcp,
860		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Roberts_IonSolventEwaldProbs_94.pdf},
861		Number = {6},
862		Pages = {5024-5031},
#	Line 701 \| Line 868
868		Author = {I.-C. Yeh and M.~L. Berkowitz},
869		Date-Added = {2006-03-18 19:24:27 -0500},
870		Date-Modified = {2006-07-18 14:34:09 -0400},
871	<	Journal = {J. Chem. Phys.},
871	>	Journal = jcp,
872		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Yeh_SlabCorrectionEwald_99.pdf},
873		Number = {7},
874		Pages = {3155-3162},
#	Line 733 \| Line 900
900		Author = {S.~W. {de Leeuw} and J.~W. Perram},
901		Date-Added = {2006-03-18 19:05:18 -0500},
902		Date-Modified = {2006-03-18 19:07:48 -0500},
903	<	Journal = {Mol. Phys.},
903	>	Journal = mp,
904		Pages = {1313-1327},
905		Title = {Electrostatic Lattice Sums for Semi-Infinite Lattices},
906		Volume = {37},
#	Line 754 \| Line 921
921		Author = {E. Spohr},
922		Date-Added = {2006-03-18 18:51:02 -0500},
923		Date-Modified = {2006-03-18 18:52:21 -0500},
924	<	Journal = {J. Chem. Phys.},
924	>	Journal = jcp,
925		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Spohr_2DElectrostatics_97.pdf},
926		Number = {16},
927		Pages = {6342-6348},
#	Line 766 \| Line 933
933		Author = {D. York and W. Yang},
934		Date-Added = {2006-03-18 11:52:58 -0500},
935		Date-Modified = {2006-07-18 14:34:21 -0400},
936	<	Journal = {J. Chem. Phys.},
936	>	Journal = jcp,
937		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/York_FFPoissonEwald_94.pdf},
938		Number = {4},
939		Pages = {3298-3300},
#	Line 778 \| Line 945
945		Author = {J. Shimada and H. Kaneko and T. Takada},
946		Date-Added = {2006-03-18 11:10:38 -0500},
947		Date-Modified = {2006-03-18 11:12:10 -0500},
948	<	Journal = {J. Comp. Chem.},
948	>	Journal = jcc,
949		Pages = {867-78},
950		Title = {Efficient calculations of Coulombic interactions in biomolecular simulations with periodic boundary conditions},
951		Volume = {14},
#	Line 818 \| Line 985
985		Author = {J.~W. Perram and H.~G. Petersen and S.~W. {de Leeuw}},
986		Date-Added = {2006-03-17 13:42:04 -0500},
987		Date-Modified = {2006-03-17 13:59:01 -0500},
988	<	Journal = {Mol. Phys.},
988	>	Journal = mp,
989		Pages = {875-893},
990		Title = {An algorithm for the simulation of condensed matter that grows as the 3/2 power of the number of particles},
991		Volume = {65},
#	Line 850 \| Line 1017
1017		Date-Added = {2006-03-16 09:49:22 -0500},
1018		Date-Modified = {2006-07-18 15:18:48 -0400},
1019		Doi = {10.1021/jp9937757},
1020	<	Journal = {J. Phys. Chem. B},
1020	>	Journal = jpcb,
1021		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicityMD_00.pdf},
1022		Number = {15},
1023		Pages = {3668-3675},
#	Line 873 \| Line 1040
1040		Author = {H.~G. Petersen},
1041		Date-Added = {2006-03-16 08:43:02 -0500},
1042		Date-Modified = {2006-07-18 14:33:13 -0400},
1043	<	Journal = {J. Chem. Phys.},
1043	>	Journal = jcp,
1044		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Petersen_AccuracyofPME_95.pdf},
1045		Month = {September},
1046		Number = {9},
#	Line 886 \| Line 1053
1053		Author = {B.~A. Luty and I.~G. Tironi and W.~F. {van~Gunsteren}},
1054		Date-Added = {2006-03-16 08:39:13 -0500},
1055		Date-Modified = {2006-03-16 08:41:15 -0500},
1056	<	Journal = {J. Chem. Phys.},
1056	>	Journal = jcp,
1057		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_LatticeSumElectrostatics_95.pdf},
1058		Number = {8},
1059		Pages = {3014-3021},
#	Line 898 \| Line 1065
1065		Author = {J.~A. Barker and R.~O. Watts},
1066		Date-Added = {2006-03-15 18:58:17 -0500},
1067		Date-Modified = {2006-07-18 14:44:12 -0400},
1068	<	Journal = {Mol. Phys.},
1068	>	Journal = mp,
1069		Pages = {789-792},
1070		Title = {$\mbox{Monte Carlo}$ studies of the dielectric properties of water-like models},
1071		Volume = {26},
#	Line 908 \| Line 1075
1075		Author = {D.~J. Adams and E.~M. Adams and G.~J. Hills},
1076		Date-Added = {2006-03-15 17:46:36 -0500},
1077		Date-Modified = {2006-03-15 17:48:04 -0500},
1078	<	Journal = {Mol. Phys.},
1078	>	Journal = mp,
1079		Number = {2},
1080		Pages = {387-400},
1081		Title = {The computer simulation of polar liquids},
#	Line 919 \| Line 1086
1086		Author = {A. Rahman and F.~H. Stillinger},
1087		Date-Added = {2006-03-15 17:04:53 -0500},
1088		Date-Modified = {2006-03-15 17:07:29 -0500},
1089	<	Journal = {J. Chem. Phys.},
1089	>	Journal = jcp,
1090		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Rahman_MDWater_71.pdf},
1091		Month = {October},
1092		Number = {7},
#	Line 932 \| Line 1099
1099		Author = {T.~A. Andrea and W.~C. Swope and H.~C. Andersen},
1100		Date-Added = {2006-03-15 15:16:12 -0500},
1101		Date-Modified = {2006-03-15 15:18:10 -0500},
1102	<	Journal = {J. Chem. Phys.},
1102	>	Journal = jcp,
1103		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Andrea_LongRangeForcesInWater_83.pdf},
1104		Number = {9},
1105		Pages = {4576-4584},
#	Line 944 \| Line 1111
1111		Author = {S.~G. Brush and H.~L. Sahlin and E. Teller},
1112		Date-Added = {2006-03-13 16:55:39 -0500},
1113		Date-Modified = {2006-07-18 14:48:59 -0400},
1114	<	Journal = {J. Chem. Phys.},
1114	>	Journal = jcp,
1115		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Brush_MCEwaldApplication_66.pdf},
1116		Month = {September},
1117		Number = {6},
#	Line 967 \| Line 1134
1134		Author = {R.~E. Jones and D.~H. Templeton},
1135		Date-Added = {2006-03-13 13:25:58 -0500},
1136		Date-Modified = {2006-07-18 14:24:50 -0400},
1137	<	Journal = {J. Chem. Phys.},
1137	>	Journal = jcp,
1138		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Jones_ChargeShapeFunctions_56.pdf},
1139		Number = {5},
1140		Pages = {1062-1063},
#	Line 979 \| Line 1146
1146		Author = {D.~M. Heyes},
1147		Date-Added = {2006-03-13 13:12:45 -0500},
1148		Date-Modified = {2006-03-13 13:14:27 -0500},
1149	<	Journal = {J. Chem. Phys.},
1149	>	Journal = jcp,
1150		Keywords = {Empty Keywords},
1151		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Heyes_CoulombChargeSpreading_81.pdf},
1152		Number = {3},
#	Line 991 \| Line 1158
1158		@article{Steinbach94,
1159		Author = {P.~J. Steinbach and B.~R. Brooks},
1160		Date-Added = {2006-03-12 19:26:45 -0500},
1161	<	Date-Modified = {2006-03-12 19:29:43 -0500},
1161	>	Date-Modified = {2006-09-05 22:30:22 -0400},
1162		Doi = {10.1002/jcc.540150702},
1163	<	Journal = {J. Comput. Chem.},
1163	>	Journal = jcc,
1164		Number = {7},
1165		Pages = {667-683},
1166		Title = {New spherical-cutoff methods for long-range forces in macromolecular simulation},
#	Line 1016 \| Line 1183
1183		Author = {U. Essmann and L. Perera and M.~L. Berkowitz and T. Darden and H. Lee and L.~G. Pedersen},
1184		Date-Added = {2006-03-05 12:25:25 -0500},
1185		Date-Modified = {2006-07-18 14:30:21 -0400},
1186	<	Journal = {J. Chem. Phys.},
1186	>	Journal = jcp,
1187		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Essmann_SmoothPME_95.pdf},
1188		Number = {19},
1189		Pages = {8577-8593},
#	Line 1028 \| Line 1195
1195		Author = {S.~M. Kast and K.~F. Schmidt and B. Schilling},
1196		Date-Added = {2006-02-18 16:47:26 -0500},
1197		Date-Modified = {2006-02-18 16:51:25 -0500},
1198	<	Journal = {Chem. Phys. Lett.},
1198	>	Journal = cpl,
1199		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/WolfApplications/Kast_dampedCoulomb_03.pdf},
1200		Pages = {398-404},
1201		Title = {Integral equation theory for correcting truncation errors in molecular simulations},
#	Line 1050 \| Line 1217
1217		Author = {D. Zahn and B. Schilling and S.~M. Kast},
1218		Date-Added = {2006-02-15 09:21:27 -0500},
1219		Date-Modified = {2006-07-18 15:19:05 -0400},
1220	<	Journal = {J. Phys. Chem. B},
1220	>	Journal = jpcb,
1221		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/WolfApplications/Zahn_enhancedWolfH2O_02.pdf},
1222		Number = {41},
1223		Pages = {10725-10732},
#	Line 1062 \| Line 1229
1229		Author = {D. Wolf and P. Keblinski and S.~R. Phillpot and J. Eggebrecht},
1230		Date-Added = {2006-02-15 09:09:39 -0500},
1231		Date-Modified = {2006-07-17 12:28:56 -0400},
1232	<	Journal = {J. Chem. Phys.},
1232	>	Journal = jcp,
1233		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/Wolf_electroCorr_99.pdf},
1234		Number = {17},
1235		Pages = {8255-8282},
#	Line 1081 \| Line 1248
1248
1249		@article{Evans77,
1250		Author = {D.~J. Evans},
1251	<	Journal = {Mol. Phys.},
1251	>	Journal = mp,
1252		Pages = {317-325},
1253		Title = {On the representation of orientation space},
1254		Volume = 34,
#	Line 1197 \| Line 1364
1364		@article{Cascales98,
1365		Author = {J.~J.~L. Cascales and J.~G.~H. Cifre and J.~G. de~la~Torre},
1366		Date-Modified = {2006-07-18 15:01:21 -0400},
1367	<	Journal = {J. Phys. Chem. B},
1367	>	Journal = jpcb,
1368		Pages = {625-631},
1369		Title = {Anaesthetic mechanism on a model biological membrane: \uppercase{A} molecular dynamics simulation study},
1370		Volume = 102,
#	Line 1205 \| Line 1372
1372
1373		@article{Bassolino95,
1374		Author = {D. Bassolino and H.~E. Alper and T.~R. Stouch},
1375	<	Journal = {J. Am. Chem. Soc.},
1375	>	Journal = jacs,
1376		Pages = {4118-4129},
1377		Title = {MECHANISM OF SOLUTE DIFFUSION THROUGH LIPID BILAYER-MEMBRANES BY MOLECULAR-DYNAMICS SIMULATION},
1378		Volume = 117,
#	Line 1213 \| Line 1380
1380
1381		@article{Alper95,
1382		Author = {H.~E. Alper and T.~R. Stouch},
1383	<	Journal = {J. Phys. Chem.},
1383	>	Journal = jpc,
1384		Pages = {5724-5731},
1385		Title = {ORIENTATION AND DIFFUSION OF A DRUG ANALOG IN BIOMEMBRANES - MOLECULAR-DYNAMICS SIMULATIONS},
1386		Volume = 99,
#	Line 1221 \| Line 1388
1388
1389		@article{Sok92,
1390		Author = {R.~M. Sok and H.~J.~C. Berendsen and W.~F. van~Gunsteren},
1391	<	Journal = {J. Chem. Phys.},
1391	>	Journal = jcp,
1392		Pages = {4699-4704},
1393		Title = {MOLECULAR-DYNAMICS SIMULATION OF THE TRANSPORT OF SMALL MOLECULES ACROSS A POLYMER MEMBRANE},
1394		Volume = 96,
#	Line 1238 \| Line 1405
1405		@article{Rabani97,
1406		Author = {E. Rabani and J.~D. Gezelter and B.~J. Berne},
1407		Date-Modified = {2006-07-18 15:11:37 -0400},
1408	<	Journal = {J. Chem. Phys.},
1408	>	Journal = jcp,
1409		Pages = {6867-6876},
1410		Title = {Calculating the hopping rate for self-diffusion on rough potential energy surfaces: $\mbox{C}$age correlations},
1411		Volume = 107,
#	Line 1321 \| Line 1488
1488		Date-Modified = {2006-07-18 15:04:56 -0400},
1489		Journal = pre,
1490		Pages = {4626-4641},
1491	<	Title = {Testing mode-coupling theory for a supercooled binary $\mbox{Lennard-Jones} mixtures: \uppercase{T}he van \uppercase{H}ove corraltion function},
1491	>	Title = {Testing mode-coupling theory for a supercooled binary $\mbox{Lennard-Jones}$ mixtures: \uppercase{T}he van \uppercase{H}ove corraltion function},
1492		Volume = 51,
1493		Year = 1995}
1494
#	Line 1411 \| Line 1578
1578
1579		@article{Barenco95,
1580		Author = {A. Barenco and C.~H. Bennett and R. Cleve and D.~P. DiVincenzo and N. Margolus and P. Shor and T. Sleator and J.~A. Smolin and H. Weinfurter},
1581	<	Journal = {Phys. Rev. A},
1581	>	Journal = pra,
1582		Pages = {3457-3467},
1583		Title = {elementary gates for quantum computation},
1584		Volume = 52,
#	Line 1436 \| Line 1603
1603
1604		@article{Calderbank96,
1605		Author = {A.~R. Calderbank and P.~W. Shor},
1606	<	Journal = {Phys. Rev. A},
1606	>	Journal = pra,
1607		Pages = {1098-1105},
1608		Title = {Good quantum error-correcting codes exist},
1609		Volume = 54,
#	Line 1652 \| Line 1819
1819		@article{Brooks83,
1820		Author = {B.~R. Brooks and R.~E. Bruccoleri and B.~D. Olafson and D.~J. States and S. Swaminathan and M. Karplus},
1821		Date-Modified = {2006-07-18 15:00:32 -0400},
1822	<	Journal = {J. Comp. Chem.},
1822	>	Journal = jcc,
1823		Pages = {187-217},
1824		Title = {\uppercase{CHARMM: A} Program for Macromolecular Energy, Minimization, and Dynamics Calculations},
1825		Volume = 4,
#	Line 1777 \| Line 1944
1944		@article{Smith82,
1945		Author = {W. Smith},
1946		Date-Modified = {2006-07-18 14:33:49 -0400},
1947	<	Journal = {CCP5 Quarterly},
1947	>	Journal = ccp5,
1948		Pages = {13-25},
1949		Title = {Point multipoles in the \uppercase{E}wald summation},
1950		Volume = 4,
#	Line 2036 \| Line 2203
2203
2204		@article{Shlesinger84,
2205		Author = {M.~F. Shlesinger and E.~W. Montroll},
2206	<	Journal = {Proc. Natl. Acad. Sci. USA},
2206	>	Journal = pnas,
2207		Pages = {1280-1283},
2208		Title = {On the Williams-Watts function of dielectric relaxation},
2209		Volume = 81,
#	Line 2044 \| Line 2211
2211
2212		@article{Klafter86,
2213		Author = {J. Klafter and M.~F. Shlesinger},
2214	<	Journal = {Proc. Natl. Acad. Sci. USA},
2214	>	Journal = pnas,
2215		Pages = {848-851},
2216		Title = {On the relationship among three theories of relaxation in disordered systems},
2217		Volume = 83,
#	Line 2131 \| Line 2298
2298		Volume = 198,
2299		Year = 1993}
2300
2301	<	@book{Frenkel96,
2301	>	@book{Frenkel02,
2302		Address = {New York},
2303		Author = {D. Frenkel and B. Smit},
2304	<	Date-Modified = {2006-07-18 15:02:21 -0400},
2304	>	Date-Modified = {2006-09-05 18:18:32 -0400},
2305	>	Edition = {2nd},
2306		Publisher = {Academic Press},
2307		Title = {Understanding Molecular Simulation: \uppercase{F}rom Algorithms to Applications},
2308	<	Year = 1996}
2308	>	Year = 2002}
2309
2310		@article{Dullweber97,
2311		Author = {A. Dullweber and B. Leimkuhler and R. McLachlan},
#	Line 2180 \| Line 2348
2348		@article{Liu96,
2349		Author = {Y. Liu and T. Ichiye},
2350		Date-Modified = {2006-08-22 14:39:40 -0400},
2351	<	Journal = {Chem. Phys. Lett.},
2351	>	Journal = cpl,
2352		Pages = {334-340},
2353		Title = {The static dielectric constant of the soft sticky dipole model of liquid water: $\mbox{Monte Carlo}$ simulation},
2354		Volume = 256,
#	Line 2189 \| Line 2357
2357		@article{Chandra99,
2358		Author = {A. Chandra and T. Ichiye},
2359		Date-Modified = {2006-08-22 14:41:50 -0400},
2360	<	Journal = {J. Chem. Phys.},
2360	>	Journal = jcp,
2361		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/SSDStuff/Chandra_SSDdynamics_99.pdf},
2362		Number = 6,
2363		Pages = {2701-2709},
#	Line 2277 \| Line 2445
2445		@article{Darden93,
2446		Author = {T. Darden and D. York and L. Pedersen},
2447		Date-Modified = {2006-07-18 15:01:45 -0400},
2448	<	Journal = {J. Chem. Phys.},
2448	>	Journal = jcp,
2449		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Darden_ParticleMeshEwald_93.pdf},
2450		Number = 12,
2451		Pages = {10089-10092},
#	Line 2288 \| Line 2456
2456		@article{Goetz98,
2457		Author = {R. Goetz and R. Lipowsky},
2458		Date-Modified = {2006-07-18 15:03:05 -0400},
2459	<	Journal = {J. Chem. Phys.},
2459	>	Journal = jcp,
2460		Number = 17,
2461		Pages = 7397,
2462		Title = {Computer simulations of bilayer membranes: \uppercase{S}elf-assembly and interfacial tension},
#	Line 2316 \| Line 2484
2484		@article{Metropolis53,
2485		Author = {N. Metropolis and A.~W. Rosenbluth and M.~N. Rosenbluth and A.~H. Teller and E. Teller},
2486		Date-Modified = {2006-03-09 10:44:24 -0500},
2487	<	Journal = {J. Chem. Phys.},
2487	>	Journal = jcp,
2488		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Metropolis_MCCalculations_53.pdf},
2489		Pages = {1087-1092},
2490		Title = {Equation of State Calculations by Fast Computing Machines},
#	Line 2340 \| Line 2508
2508		Year = 1987}
2509
2510		@article{Pearlman95,
2511	<	Author = {David~A. Pearlman and David~A. Case and James~W. Caldwell and Wilson~S. Ross and Thomas~E. Cheatham~III and Steve DeBolt and David Ferguson and George Seibel and Peter Kollman},
2512	<	Date-Modified = {2006-07-18 14:56:08 -0400},
2511	>	Author = {David~A. Pearlman and David~A. Case and James~W. Caldwell and Wilson~S. Ross and Thomas~E. {Cheatham~III} and Steve DeBolt and David Ferguson and George Seibel and Peter Kollman},
2512	>	Date-Modified = {2006-09-27 10:00:28 -0400},
2513		Journal = {Computer Physics Communications},
2514		Pages = {1-41},
2515		Title = {\uppercase{AMBER}, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics, and free energy calculations to simulate the structural and energetic properties of molecules},
#	Line 2385 \| Line 2553
2553
2554		@article{Soper86,
2555		Author = {A.~K. Soper and M.~G. Phillips},
2556	+	Date-Modified = {2006-09-27 10:08:19 -0400},
2557		Journal = cp,
2558		Number = 1,
2559		Pages = {47-60},
2560	<	Title = {A new determination of the structure of water at 298K},
2560	>	Title = {A new determination of the structure of water at 298\uppercase{K}},
2561		Volume = 107,
2562		Year = 1986}
2563
2564		@article{Plimpton95,
2565		Author = {S. Plimpton},
2566		Date-Modified = {2006-02-15 10:30:31 -0500},
2567	<	Journal = {J. Comp. Phys.},
2567	>	Journal = jcop,
2568		Pages = {1-19},
2569		Title = {Fast Parallel Algorithms for Short-Range Molecular Dymanics},
2570		Volume = 117,
#	Line 2553 \| Line 2722
2722		@article{Nina02,
2723		Author = {M. Nina and T. Simonson},
2724		Date-Modified = {2006-07-18 15:08:00 -0400},
2725	<	Journal = {J. Phys. Chem. B},
2725	>	Journal = jpcb,
2726		Pages = {3696-3705},
2727		Title = {Molecular Dynamics of the $\text{tRNA}^{\text{Ala}}$ Acceptor Stem: $\mbox{C}$omparison between Continuum Reaction Field and Particle-Mesh \uppercase{E}wald Electrostatic Treatments},
2728		Volume = 106,
#	Line 2580 \| Line 2749
2749		@article{Marrink04,
2750		Author = {S.~J. Marrink and A.~H. de~Vries and A.~E. Mark},
2751		Date-Modified = {2006-02-15 10:28:28 -0500},
2752	<	Journal = {J. Phys. Chem. B},
2752	>	Journal = jpcb,
2753		Pages = {750-760},
2754		Title = {Coarse Grained Model for Semiquantitative Lipid Simulations},
2755		Volume = 108,
#	Line 2588 \| Line 2757
2757
2758		@article{Andersen83,
2759		Author = {H.~C. Andersen},
2760	<	Date-Modified = {2006-07-18 14:59:26 -0400},
2761	<	Journal = {Journal of Computational Physics},
2760	>	Date-Modified = {2006-09-05 22:28:45 -0400},
2761	>	Journal = jcop,
2762		Pages = {24-34},
2763		Title = {\uppercase{RATTLE: A} Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations},
2764		Volume = 52,
#	Line 2598 \| Line 2767
2767		@article{Hura00,
2768		Author = {G. Hura and J.~M. Sorenson and R.~M. Glaeser and T. Head-Gordon},
2769		Date-Modified = {2006-07-21 11:45:15 -0400},
2770	<	Journal = {J. Chem. Phys.},
2770	>	Journal = jcp,
2771		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/THGord_X-RayH2O_2000.pdf},
2772		Pages = {9140-9148},
2773		Title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions},
#	Line 2626 \| Line 2795
2795		@article{Egberts88,
2796		Author = {E. Egberts and H.~J.~C. Berendsen},
2797		Date-Modified = {2006-02-15 10:16:43 -0500},
2798	<	Journal = {J. Chem. Phys.},
2798	>	Journal = jcp,
2799		Pages = {3718-3732},
2800		Title = {Molecular Dynamics Simulation of a smectic liquid crystal with atomic detail},
2801		Volume = 89,
#	Line 2635 \| Line 2804
2804		@article{Holz00,
2805		Author = {M. Holz and S.~R. Heil and A. Sacco},
2806		Date-Modified = {2006-08-06 14:07:16 -0400},
2807	<	Journal = {Phys. Chem. Chem. Phys.},
2807	>	Journal = pccp,
2808		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Holz_SelfDiffusionOfWaterFromNMR_00.pdf},
2809		Pages = {4740-4742},
2810		Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1$\uppercase{h nmr pfg} measurements},
#	Line 2677 \| Line 2846
2846		@article{Klein01,
2847		Author = {J.~C. Shelley andf M.~Y. Shelley and R.~C. Reeder and S. Bandyopadhyay and M.~L. Klein},
2848		Date-Modified = {2006-02-15 10:27:22 -0500},
2849	<	Journal = {J. Phys. Chem. B},
2849	>	Journal = jpcb,
2850		Pages = {4464-4470},
2851		Title = {A Coarse Grain Model for Phospholipid Simulations},
2852		Volume = 105,
#	Line 2686 \| Line 2855
2855		@article{Marrink03,
2856		Author = {S.~J. Marrink and A.~E. Mark},
2857		Date-Modified = {2006-03-16 09:54:52 -0500},
2858	<	Journal = {J. Am. Chem. Soc.},
2858	>	Journal = jacs,
2859		Pages = {15233-15242},
2860		Title = {Molecular Dynamics Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles},
2861		Volume = 125,
#	Line 2788 \| Line 2957
2957
2958		@article{Smith96,
2959		Author = {W. Smith and T. Forester},
2960	<	Date-Modified = {2006-07-18 14:56:36 -0400},
2960	>	Date-Modified = {2006-09-07 14:48:19 -0400},
2961		Journal = {J. Molec. Graphics.},
2962		Number = 3,
2963		Pages = {136-141},
2964	<	Title = {\uppercase{DL_POLY_2.0: A} general-purpose parallel molecular dynamics simulation package},
2964	>	Title = {\uppercase{DL\_POLY\_2.0: A} general-purpose parallel molecular dynamics simulation package},
2965		Volume = 14,
2966		Year = 1996}
2967
2968		@article{Ponder87,
2969		Author = {J.~W. Ponder and F.~M. Richards},
2970		Date-Modified = {2006-02-15 10:13:45 -0500},
2971	<	Journal = {J. Comp. Chem.},
2971	>	Journal = jcc,
2972		Number = 7,
2973		Pages = {1016-1024},
2974		Title = {AN EFFICIENT NEWTON-LIKE METHOD FOR MOLECULAR MECHANICS ENERGY MINIMIZATION OF LARGE MOLECULES},
#	Line 2837 \| Line 3006
3006		@article{Meineke05,
3007		Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter},
3008		Date-Modified = {2006-07-18 15:22:51 -0400},
3009	<	Journal = {J. Comp. Chem.},
3009	>	Journal = jcc,
3010		Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Meineke_OOPSE_05.pdf},
3011		Pages = {252-271},
3012		Title = {$\mbox{OOPSE: A}$n Open Source Object-Oriented Parallel Simulation Engine for Molecular Dynamics},
#	Line 3008 \| Line 3177
3177
3178		@article{Gallagher03,
3179		Author = {K.~R. Gallagher and K.~A. Sharp},
3180	+	Date-Modified = {2006-09-27 10:13:16 -0400},
3181		Journal = jacs,
3182	<	Pages = 9853,
3182	>	Pages = {9853-9860},
3183		Title = {A New Angle on Heat Capacity Changes in Hydrophobic Solvation},
3184		Volume = 125,
3185		Year = 2003}

Diff Legend

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines

Comparing trunk/chrisDissertation/dissertation.bib (file contents): Revision 2987 by chrisfen, Wed Aug 30 22:36:06 2006 UTC vs. Revision 3029 by chrisfen, Wed Sep 27 14:43:49 2006 UTC

Diff Legend

Comparing trunk/chrisDissertation/dissertation.bib (file contents):
Revision 2987 by chrisfen, Wed Aug 30 22:36:06 2006 UTC vs.
Revision 3029 by chrisfen, Wed Sep 27 14:43:49 2006 UTC