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Revision 2957 by chrisfen, Fri Jul 21 22:18:24 2006 UTC vs.
Revision 2975 by chrisfen, Tue Aug 22 18:04:10 2006 UTC

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2   %% http://bibdesk.sourceforge.net/
3  
4  
5 < %% Created for Chris Fennell at 2006-07-21 11:45:23 -0400
5 > %% Created for Chris Fennell at 2006-08-19 19:34:39 -0400
6  
7  
8   %% Saved with string encoding Western (ASCII)
# Line 45 | Line 45
45   @string{rmp = {Rev. Mod. Phys.}}
46  
47  
48 + @article{Aguado03,
49 +        Author = {A. Aguado and P.~A. Madden},
50 +        Date-Added = {2006-08-16 10:42:15 -0400},
51 +        Date-Modified = {2006-08-16 10:43:56 -0400},
52 +        Doi = {10.1063/1.1605941},
53 +        Journal = {J. Chem. Phys.},
54 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Aguado_MultipoleEwald_03.pdf},
55 +        Number = {14},
56 +        Pages = {7471-7483},
57 +        Title = {Ewald summation of electrostatic multipole interactions up to the quadrupolar level},
58 +        Volume = {119},
59 +        Year = {2003}}
60 +
61 + @article{Smith98,
62 +        Author = {W. Smith},
63 +        Date-Added = {2006-08-16 10:02:44 -0400},
64 +        Date-Modified = {2006-08-16 10:41:23 -0400},
65 +        Journal = {CCP5 Information Quarterly},
66 +        Number = {46},
67 +        Title = {Point multipoles in the \uppercase{E}wald summation (Revisited)},
68 +        Year = {1998}}
69 +
70 + @book{Stone02,
71 +        Author = {A.~J. Stone},
72 +        Date-Added = {2006-08-14 18:14:32 -0400},
73 +        Date-Modified = {2006-08-14 22:45:20 -0400},
74 +        Editor = {J.~S. Rowlinson},
75 +        Publisher = {Oxford University Press, Inc.},
76 +        Title = {The Theory of Intermolecular Forces},
77 +        Year = {2002}}
78 +
79 + @book{Hirschfelder67,
80 +        Author = {J.~O. Hirschfelder and C.~F. Curtiss and R.~B. Bird},
81 +        Date-Added = {2006-08-14 10:15:21 -0400},
82 +        Date-Modified = {2006-08-14 22:45:43 -0400},
83 +        Editor = {M.~G. Mayer},
84 +        Publisher = {John Wiley \& Sons, Inc.},
85 +        Title = {Molecular Theory of Gases and Liquids},
86 +        Year = {1967}}
87 +
88 + @article{Ryckaert77,
89 +        Author = {J.-P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen},
90 +        Date-Added = {2006-08-06 17:05:44 -0400},
91 +        Date-Modified = {2006-08-06 17:08:35 -0400},
92 +        Doi = {10.1016/0021-9991(77)90098-5},
93 +        Journal = {J. Comput. Phys.},
94 +        Month = {March},
95 +        Number = {3},
96 +        Pages = {327-341},
97 +        Title = {Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of {\it n}-alkanes},
98 +        Volume = {23},
99 +        Year = {1977}}
100 +
101 + @article{Impey82,
102 +        Author = {R.~W. Impey and P.~A. Madden and I.~R. McDonald},
103 +        Date-Added = {2006-08-03 08:42:21 -0400},
104 +        Date-Modified = {2006-08-03 08:44:06 -0400},
105 +        Journal = {Mol. Phys.},
106 +        Number = {3},
107 +        Pages = {513-539},
108 +        Title = {Spectroscopic and transport properties of water: \uppercase{M}odel calculations and the interpretation of experimental results},
109 +        Volume = {46},
110 +        Year = {1982}}
111 +
112 + @article{Laasonen93,
113 +        Author = {K. Laasonen and M. Sprik and M. Parrinello and R. Car},
114 +        Date-Added = {2006-08-02 08:23:46 -0400},
115 +        Date-Modified = {2006-08-02 13:09:18 -0400},
116 +        Journal = {J. Chem. Phys.},
117 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Laasonen_AbInitioLiquidWater_93.pdf},
118 +        Number = {11},
119 +        Pages = {9080-9089},
120 +        Title = {``{\it \uppercase{A}b initio}" liquid water},
121 +        Volume = {99},
122 +        Year = {1993}}
123 +
124 + @article{Donchev06,
125 +        Author = {A.~G. Donchev and N.~G. Galkin and A.~A. Illarionov and O.~V. Khoruzhii and M.~A. Olevanov and M.~V. Subbotin and V.~I. Tarasov},
126 +        Date-Added = {2006-08-02 08:15:11 -0400},
127 +        Date-Modified = {2006-08-02 08:16:16 -0400},
128 +        Doi = {www.pnas.org/cgi/doi/10.1073/pnas.0602982103},
129 +        Journal = {Proc. Natl. Acad. Sci. USA},
130 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Donchev_QuantumWater_06.pdf},
131 +        Number = {23},
132 +        Pages = {8613-8617},
133 +        Title = {Water properties from first principles: \uppercase{S}imulations by a general-purpose quantum mechanical polarizable force field},
134 +        Volume = {103},
135 +        Year = {2006}}
136 +
137 + @article{Malmberg56,
138 +        Author = {G.~G. Malmberg and A.~A. Maryott},
139 +        Date-Added = {2006-08-01 17:19:00 -0400},
140 +        Date-Modified = {2006-08-02 13:16:04 -0400},
141 +        Journal = {J. Res. Natl. Bur. Stand.},
142 +        Number = {1},
143 +        Pages = {1-8},
144 +        Title = {Dielectric constant of Water from 0$^\circ$ to 100$^\circ$\uppercase{C}},
145 +        Volume = {56},
146 +        Year = {1956}}
147 +
148 + @article{Neumann80,
149 +        Author = {M. Neumann and O. Steinhauser},
150 +        Date-Added = {2006-08-01 17:17:52 -0400},
151 +        Date-Modified = {2006-08-01 17:18:51 -0400},
152 +        Journal = {Mol. Phys.},
153 +        Number = {2},
154 +        Pages = {437-454},
155 +        Title = {The influence of boundary conditions used in machine simulations on the structure of polar systems},
156 +        Volume = {39},
157 +        Year = {1980}}
158 +
159 + @article{Neumann83,
160 +        Author = {M. Neumann},
161 +        Date-Added = {2006-08-01 17:16:51 -0400},
162 +        Date-Modified = {2006-08-01 17:17:45 -0400},
163 +        Journal = {Mol. Phys.},
164 +        Number = {4},
165 +        Pages = {841-858},
166 +        Title = {Dipole moment fluctuation formulas in computer simulations of polar systems},
167 +        Volume = {50},
168 +        Year = {1983}}
169 +
170 + @article{Kell75,
171 +        Author = {G.~S. Kell},
172 +        Date-Added = {2006-08-01 16:05:09 -0400},
173 +        Date-Modified = {2006-08-02 13:17:29 -0400},
174 +        Journal = {J. Chem. Eng. Data},
175 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Kell_CompressibilityAndExpansivityOfH2O_75.pdf},
176 +        Number = {1},
177 +        Pages = {91-105},
178 +        Title = {Density, Thermal Expansivity, and Compressibility of Liquid Water from 0$^\circ$ to 150$^\circ$\uppercase{C}: \uppercase{C}orrelations and Tables for Atmospheric Pressure and Saturation Reviewed and Expressed on 1968 Temperature Scale},
179 +        Volume = {20},
180 +        Year = {1975}}
181 +
182 + @article{Wagner02,
183 +        Author = {W. Wagner and A. Pru{\ss}},
184 +        Date-Added = {2006-08-01 16:02:31 -0400},
185 +        Date-Modified = {2006-08-02 13:16:50 -0400},
186 +        Journal = {J. Phys. Chem. Ref. Data},
187 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Wagner_ThermodynamicPropertiesOfH2O_03.pdf},
188 +        Number = {2},
189 +        Pages = {387-535},
190 +        Title = {The \uppercase{IAPWS} Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use},
191 +        Volume = {31},
192 +        Year = {2002}}
193 +
194 + @article{Neumann84,
195 +        Author = {M. Neumann and O. Steinhauser and G.~S. Pawley},
196 +        Date-Added = {2006-07-31 10:22:39 -0400},
197 +        Date-Modified = {2006-07-31 10:24:17 -0400},
198 +        Journal = {Mol. Phys.},
199 +        Number = {1},
200 +        Pages = {97-113},
201 +        Title = {Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations},
202 +        Volume = {52},
203 +        Year = {1984}}
204 +
205 + @article{Neumann85,
206 +        Author = {M. Neumann},
207 +        Date-Added = {2006-07-31 10:19:17 -0400},
208 +        Date-Modified = {2006-08-02 13:17:58 -0400},
209 +        Journal = {J. Chem. Phys.},
210 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/DielectricConst./Neumann_H2ODielConst_85.pdf},
211 +        Number = {12},
212 +        Pages = {5663-5672},
213 +        Title = {The dielectric constant of water. \uppercase{C}omputer simulations with the \uppercase{MCY} potential},
214 +        Volume = {82},
215 +        Year = {1985}}
216 +
217 + @book{Berry00,
218 +        Address = {New York},
219 +        Author = {R. Stephen Berry and Stuart A. Rice and John Ross},
220 +        Date-Added = {2006-07-30 14:49:40 -0400},
221 +        Date-Modified = {2006-07-30 14:53:08 -0400},
222 +        Edition = {Second},
223 +        Editor = {Donald G. Truhlar},
224 +        Publisher = {Oxford University Press, Inc.},
225 +        Series = {Topics in Physical Chemistry},
226 +        Title = {Physical Chemistry},
227 +        Year = {2000}}
228 +
229   @article{Sorenson00,
230          Author = {J.~M. Sorenson and G. Hura and R.~M. Glaeser and T. Head-Gordon},
231          Date-Added = {2006-07-21 11:41:31 -0400},
# Line 93 | Line 274
274   @article{Rick04,
275          Author = {S.~W. Rick},
276          Date-Added = {2006-07-18 10:49:48 -0400},
277 <        Date-Modified = {2006-07-18 14:23:07 -0400},
277 >        Date-Modified = {2006-08-19 19:34:36 -0400},
278          Doi = {10.1063/1.1652434},
279          Journal = {J. Chem. Phys.},
280 <        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Rick_TIP5P-Ew_04.pdf},
280 >        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Research/Water_Models/Rick_TIP5P-E_04.pdf},
281          Number = {13},
282          Pages = {6085-6093},
283          Title = {A reoptimization of the five-site water potential (\uppercase{TIP5P}) for use with \uppercase{E}wald sums},
# Line 2336 | Line 2517
2517          Title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions},
2518          Volume = 113,
2519          Year = 2000}
2339
2340 @article{Ryckaert77,
2341        Author = {J.~P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen},
2342        Date-Modified = {2006-07-18 15:12:28 -0400},
2343        Journal = {Journal of Computational Physics},
2344        Pages = {327-341},
2345        Title = {Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: $\mbox{M}$olecular Dynamics of $n$-Alkanes},
2346        Volume = 23,
2347        Year = 1977}
2520  
2521   @inbook{Fowles99,
2522          Author = {G.~R. Fowles and G.~L. Cassiday},
# Line 2375 | Line 2547
2547  
2548   @article{Holz00,
2549          Author = {M. Holz and S.~R. Heil and A. Sacco},
2550 +        Date-Modified = {2006-08-06 14:07:16 -0400},
2551          Journal = {Phys. Chem. Chem. Phys.},
2552 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Holz_SelfDiffusionOfWaterFromNMR_00.pdf},
2553          Pages = {4740-4742},
2554 <        Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1${\sc h} {\sc nmr pfg} measurements},
2554 >        Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1$\uppercase{h nmr pfg} measurements},
2555          Volume = 2,
2556          Year = 2000}
2557  
# Line 2557 | Line 2731
2731          Address = {Dordrecht},
2732          Author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans},
2733          Booktitle = {Intermolecular Forces},
2734 +        Date-Modified = {2006-08-02 13:23:53 -0400},
2735          Editor = {B. Pullman},
2736 <        Pages = 331,
2736 >        Pages = {331-342},
2737          Publisher = {Reidel},
2738          Title = {Simple Point Charge Water},
2739          Year = 1981}
# Line 2620 | Line 2795
2795  
2796   @article{Onsager36,
2797          Author = {L. Onsager},
2798 +        Date-Modified = {2006-08-02 10:49:57 -0400},
2799          Journal = jacs,
2800 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Onsager_electMoments_36.pdf},
2801          Pages = {1486-1493},
2802          Title = {Electric Moments of Molecules in Liquids},
2803          Volume = 58,

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