| 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 2006-08-06 17:08:39 -0400 |
| 6 |
|
|
| 7 |
|
|
| 8 |
|
%% Saved with string encoding Western (ASCII) |
| 45 |
|
@string{rmp = {Rev. Mod. Phys.}} |
| 46 |
|
|
| 47 |
|
|
| 48 |
+ |
@article{Ryckaert77, |
| 49 |
+ |
Author = {J.-P. Ryckaert and G. Ciccotti and H.~J.~C. Berendsen}, |
| 50 |
+ |
Date-Added = {2006-08-06 17:05:44 -0400}, |
| 51 |
+ |
Date-Modified = {2006-08-06 17:08:35 -0400}, |
| 52 |
+ |
Doi = {10.1016/0021-9991(77)90098-5}, |
| 53 |
+ |
Journal = {J. Comput. Phys.}, |
| 54 |
+ |
Month = {March}, |
| 55 |
+ |
Number = {3}, |
| 56 |
+ |
Pages = {327-341}, |
| 57 |
+ |
Title = {Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of {\it n}-alkanes}, |
| 58 |
+ |
Volume = {23}, |
| 59 |
+ |
Year = {1977}} |
| 60 |
+ |
|
| 61 |
+ |
@article{Impey82, |
| 62 |
+ |
Author = {R.~W. Impey and P.~A. Madden and I.~R. McDonald}, |
| 63 |
+ |
Date-Added = {2006-08-03 08:42:21 -0400}, |
| 64 |
+ |
Date-Modified = {2006-08-03 08:44:06 -0400}, |
| 65 |
+ |
Journal = {Mol. Phys.}, |
| 66 |
+ |
Number = {3}, |
| 67 |
+ |
Pages = {513-539}, |
| 68 |
+ |
Title = {Spectroscopic and transport properties of water: \uppercase{M}odel calculations and the interpretation of experimental results}, |
| 69 |
+ |
Volume = {46}, |
| 70 |
+ |
Year = {1982}} |
| 71 |
+ |
|
| 72 |
+ |
@article{Laasonen93, |
| 73 |
+ |
Author = {K. Laasonen and M. Sprik and M. Parrinello and R. Car}, |
| 74 |
+ |
Date-Added = {2006-08-02 08:23:46 -0400}, |
| 75 |
+ |
Date-Modified = {2006-08-02 13:09:18 -0400}, |
| 76 |
+ |
Journal = {J. Chem. Phys.}, |
| 77 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Laasonen_AbInitioLiquidWater_93.pdf}, |
| 78 |
+ |
Number = {11}, |
| 79 |
+ |
Pages = {9080-9089}, |
| 80 |
+ |
Title = {``{\it \uppercase{A}b initio}" liquid water}, |
| 81 |
+ |
Volume = {99}, |
| 82 |
+ |
Year = {1993}} |
| 83 |
+ |
|
| 84 |
+ |
@article{Donchev06, |
| 85 |
+ |
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}, |
| 86 |
+ |
Date-Added = {2006-08-02 08:15:11 -0400}, |
| 87 |
+ |
Date-Modified = {2006-08-02 08:16:16 -0400}, |
| 88 |
+ |
Doi = {www.pnas.org/cgi/doi/10.1073/pnas.0602982103}, |
| 89 |
+ |
Journal = {Proc. Natl. Acad. Sci. USA}, |
| 90 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/2006/Donchev_QuantumWater_06.pdf}, |
| 91 |
+ |
Number = {23}, |
| 92 |
+ |
Pages = {8613-8617}, |
| 93 |
+ |
Title = {Water properties from first principles: \uppercase{S}imulations by a general-purpose quantum mechanical polarizable force field}, |
| 94 |
+ |
Volume = {103}, |
| 95 |
+ |
Year = {2006}} |
| 96 |
+ |
|
| 97 |
+ |
@article{Malmberg56, |
| 98 |
+ |
Author = {G.~G. Malmberg and A.~A. Maryott}, |
| 99 |
+ |
Date-Added = {2006-08-01 17:19:00 -0400}, |
| 100 |
+ |
Date-Modified = {2006-08-02 13:16:04 -0400}, |
| 101 |
+ |
Journal = {J. Res. Natl. Bur. Stand.}, |
| 102 |
+ |
Number = {1}, |
| 103 |
+ |
Pages = {1-8}, |
| 104 |
+ |
Title = {Dielectric constant of Water from 0$^\circ$ to 100$^\circ$\uppercase{C}}, |
| 105 |
+ |
Volume = {56}, |
| 106 |
+ |
Year = {1956}} |
| 107 |
+ |
|
| 108 |
+ |
@article{Neumann80, |
| 109 |
+ |
Author = {M. Neumann and O. Steinhauser}, |
| 110 |
+ |
Date-Added = {2006-08-01 17:17:52 -0400}, |
| 111 |
+ |
Date-Modified = {2006-08-01 17:18:51 -0400}, |
| 112 |
+ |
Journal = {Mol. Phys.}, |
| 113 |
+ |
Number = {2}, |
| 114 |
+ |
Pages = {437-454}, |
| 115 |
+ |
Title = {The influence of boundary conditions used in machine simulations on the structure of polar systems}, |
| 116 |
+ |
Volume = {39}, |
| 117 |
+ |
Year = {1980}} |
| 118 |
+ |
|
| 119 |
+ |
@article{Neumann83, |
| 120 |
+ |
Author = {M. Neumann}, |
| 121 |
+ |
Date-Added = {2006-08-01 17:16:51 -0400}, |
| 122 |
+ |
Date-Modified = {2006-08-01 17:17:45 -0400}, |
| 123 |
+ |
Journal = {Mol. Phys.}, |
| 124 |
+ |
Number = {4}, |
| 125 |
+ |
Pages = {841-858}, |
| 126 |
+ |
Title = {Dipole moment fluctuation formulas in computer simulations of polar systems}, |
| 127 |
+ |
Volume = {50}, |
| 128 |
+ |
Year = {1983}} |
| 129 |
+ |
|
| 130 |
+ |
@article{Kell75, |
| 131 |
+ |
Author = {G.~S. Kell}, |
| 132 |
+ |
Date-Added = {2006-08-01 16:05:09 -0400}, |
| 133 |
+ |
Date-Modified = {2006-08-02 13:17:29 -0400}, |
| 134 |
+ |
Journal = {J. Chem. Eng. Data}, |
| 135 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Kell_CompressibilityAndExpansivityOfH2O_75.pdf}, |
| 136 |
+ |
Number = {1}, |
| 137 |
+ |
Pages = {91-105}, |
| 138 |
+ |
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}, |
| 139 |
+ |
Volume = {20}, |
| 140 |
+ |
Year = {1975}} |
| 141 |
+ |
|
| 142 |
+ |
@article{Wagner02, |
| 143 |
+ |
Author = {W. Wagner and A. Pru{\ss}}, |
| 144 |
+ |
Date-Added = {2006-08-01 16:02:31 -0400}, |
| 145 |
+ |
Date-Modified = {2006-08-02 13:16:50 -0400}, |
| 146 |
+ |
Journal = {J. Phys. Chem. Ref. Data}, |
| 147 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Wagner_ThermodynamicPropertiesOfH2O_03.pdf}, |
| 148 |
+ |
Number = {2}, |
| 149 |
+ |
Pages = {387-535}, |
| 150 |
+ |
Title = {The \uppercase{IAPWS} Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use}, |
| 151 |
+ |
Volume = {31}, |
| 152 |
+ |
Year = {2002}} |
| 153 |
+ |
|
| 154 |
+ |
@article{Neumann84, |
| 155 |
+ |
Author = {M. Neumann and O. Steinhauser and G.~S. Pawley}, |
| 156 |
+ |
Date-Added = {2006-07-31 10:22:39 -0400}, |
| 157 |
+ |
Date-Modified = {2006-07-31 10:24:17 -0400}, |
| 158 |
+ |
Journal = {Mol. Phys.}, |
| 159 |
+ |
Number = {1}, |
| 160 |
+ |
Pages = {97-113}, |
| 161 |
+ |
Title = {Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations}, |
| 162 |
+ |
Volume = {52}, |
| 163 |
+ |
Year = {1984}} |
| 164 |
+ |
|
| 165 |
+ |
@article{Neumann85, |
| 166 |
+ |
Author = {M. Neumann}, |
| 167 |
+ |
Date-Added = {2006-07-31 10:19:17 -0400}, |
| 168 |
+ |
Date-Modified = {2006-08-02 13:17:58 -0400}, |
| 169 |
+ |
Journal = {J. Chem. Phys.}, |
| 170 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/DielectricConst./Neumann_H2ODielConst_85.pdf}, |
| 171 |
+ |
Number = {12}, |
| 172 |
+ |
Pages = {5663-5672}, |
| 173 |
+ |
Title = {The dielectric constant of water. \uppercase{C}omputer simulations with the \uppercase{MCY} potential}, |
| 174 |
+ |
Volume = {82}, |
| 175 |
+ |
Year = {1985}} |
| 176 |
+ |
|
| 177 |
+ |
@book{Berry00, |
| 178 |
+ |
Address = {New York}, |
| 179 |
+ |
Author = {R. Stephen Berry and Stuart A. Rice and John Ross}, |
| 180 |
+ |
Date-Added = {2006-07-30 14:49:40 -0400}, |
| 181 |
+ |
Date-Modified = {2006-07-30 14:53:08 -0400}, |
| 182 |
+ |
Edition = {Second}, |
| 183 |
+ |
Editor = {Donald G. Truhlar}, |
| 184 |
+ |
Publisher = {Oxford University Press, Inc.}, |
| 185 |
+ |
Series = {Topics in Physical Chemistry}, |
| 186 |
+ |
Title = {Physical Chemistry}, |
| 187 |
+ |
Year = {2000}} |
| 188 |
+ |
|
| 189 |
|
@article{Sorenson00, |
| 190 |
|
Author = {J.~M. Sorenson and G. Hura and R.~M. Glaeser and T. Head-Gordon}, |
| 191 |
|
Date-Added = {2006-07-21 11:41:31 -0400}, |
| 2477 |
|
Title = {A high-quality x-ray scattering experiment on liquid water at ambient conditions}, |
| 2478 |
|
Volume = 113, |
| 2479 |
|
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} |
| 2480 |
|
|
| 2481 |
|
@inbook{Fowles99, |
| 2482 |
|
Author = {G.~R. Fowles and G.~L. Cassiday}, |
| 2507 |
|
|
| 2508 |
|
@article{Holz00, |
| 2509 |
|
Author = {M. Holz and S.~R. Heil and A. Sacco}, |
| 2510 |
+ |
Date-Modified = {2006-08-06 14:07:16 -0400}, |
| 2511 |
|
Journal = {Phys. Chem. Chem. Phys.}, |
| 2512 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/ExperimentalWater/Holz_SelfDiffusionOfWaterFromNMR_00.pdf}, |
| 2513 |
|
Pages = {4740-4742}, |
| 2514 |
< |
Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1${\sc h} {\sc nmr pfg} measurements}, |
| 2514 |
> |
Title = {Temperature-dependent self-diffusion coefficients of water and six selected molecular liquids for calibration in accurate $^1$\uppercase{h nmr pfg} measurements}, |
| 2515 |
|
Volume = 2, |
| 2516 |
|
Year = 2000} |
| 2517 |
|
|
| 2691 |
|
Address = {Dordrecht}, |
| 2692 |
|
Author = {H.~J.~C. Berendsen and J.~P.~M. Postma and W.~F. {van~Gunsteren} and J. Hermans}, |
| 2693 |
|
Booktitle = {Intermolecular Forces}, |
| 2694 |
+ |
Date-Modified = {2006-08-02 13:23:53 -0400}, |
| 2695 |
|
Editor = {B. Pullman}, |
| 2696 |
< |
Pages = 331, |
| 2696 |
> |
Pages = {331-342}, |
| 2697 |
|
Publisher = {Reidel}, |
| 2698 |
|
Title = {Simple Point Charge Water}, |
| 2699 |
|
Year = 1981} |
| 2755 |
|
|
| 2756 |
|
@article{Onsager36, |
| 2757 |
|
Author = {L. Onsager}, |
| 2758 |
+ |
Date-Modified = {2006-08-02 10:49:57 -0400}, |
| 2759 |
|
Journal = jacs, |
| 2760 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Onsager_electMoments_36.pdf}, |
| 2761 |
|
Pages = {1486-1493}, |
| 2762 |
|
Title = {Electric Moments of Molecules in Liquids}, |
| 2763 |
|
Volume = 58, |