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\@writefile{lof}{\contentsline {figure}{\numberline {4}{\ignorespaces Contour plots of 2D angular g($r$)'s for 512 SSD systems at 100 K (A \& B) and 300 K (C \& D). Contour colors are inverted for clarity: dark areas signify peaks while light areas signify depressions. White areas have g(\emph {r}) values below 0.5 and black areas have values above 1.5.}}{5}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {6}{\ignorespaces Plots comparing experiment\cite {Head-Gordon00_1} with SSD/E and SSD without reaction field (top), as well as SSD/RF and SSD with reaction field turned on (bottom). The insets show the respective first peaks in detail. Solid Line - experiment, dashed line - SSD/E and SSD/RF, and dotted line - SSD (with and without reaction field).}}{7}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {8}{\ignorespaces Comparison of densities calculated with SSD/E to SSD without a reaction field, TIP4P\cite {Jorgensen98b}, TIP3P\cite {Jorgensen98b}, SPC/E\cite {Clancy94}, and Experiment\cite {CRC80}. The upper plot includes error bars, and the calculated results from the other references were removed for clarity.}}{8}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {9}{\ignorespaces Comparison of densities calculated with SSD/RF to SSD with a reaction field, TIP4P\cite {Jorgensen98b}, TIP3P\cite {Jorgensen98b}, SPC/E\cite {Clancy94}, and Experiment\cite {CRC80}. The upper plot includes error bars, and the calculated results from the other references were removed for clarity.}}{8}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {10}{\ignorespaces Plots of the diffusion constants calculated from SSD/E and SSD, both without a reaction field along with experimental results from Gillen \emph {et al.}\cite {Gillen72} and Mills\cite {Mills73}. The upper plot is at densities calculated from the NPT simulations at a pressure of 1 atm, while the lower plot is at the experimentally calculated densities.}}{9}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {11}{\ignorespaces Plots of the diffusion constants calculated from SSD/RF and SSD, both with an active reaction field along with experimental results from Gillen \emph {et al.}\cite {Gillen72} and Mills\cite {Mills73}. The upper plot is at densities calculated from the NPT simulations at a pressure of 1 atm, while the lower plot is at the experimentally calculated densities.}}{9}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {13}{\ignorespaces Simple unit cell for constructing ice 0. In this cell, $c$ is equal to $0.4714\times a$, and a typical value for $a$ is 8.25 \r A.}}{10}} |
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\bibcite{Jorgensen83}{{1}{1983}{{Jorgensen et~al.}}{{Jorgensen, Chandrasekhar, Madura, Impey, and Klein}}} |
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\bibcite{Berendsen87}{{2}{1987}{{Berendsen et~al.}}{{Berendsen, Grigera, and Straatsma}}} |
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\bibcite{Jorgensen01}{{4}{2001}{{Mahoney and Jorgensen}}{{}}} |
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\bibcite{Ichiye96}{{5}{1996}{{Liu and Ichiye}}{{}}} |
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\bibcite{Bratko85}{{6}{1985}{{Bratko et~al.}}{{Bratko, Blum, and Luzar}}} |
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\bibcite{Bratko95}{{7}{1995}{{Blum et~al.}}{{Blum, Vericat, and Bratko}}} |
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\bibcite{Ichiye99}{{8}{1999}{{Chandra and Ichiye}}{{}}} |
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\bibcite{Darden99}{{9}{1999}{{Sagui and Darden}}{{}}} |
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\bibcite{Ichiye03}{{10}{2003}{{Tan et~al.}}{{Tan, Fischer, Chandra, Brooks, and Ichiye}}} |
| 141 |
\bibcite{AllenTildesley}{{11}{1987}{{Allen and Tildesley}}{{}}} |
| 142 |
\bibcite{Berendsen98}{{12}{1998}{{van~der Spoel et~al.}}{{van~der Spoel, van Maaren, and Berendsen}}} |
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| 144 |
\bibcite{Hoover86}{{14}{1986}{{Hoover}}{{}}} |
| 145 |
\bibcite{Dullweber1997}{{15}{1997}{{Dullweber et~al.}}{{Dullweber, Leimkuhler, and McLachlan}}} |
| 146 |
\bibcite{Laird97}{{16}{1997}{{Kol et~al.}}{{Kol, Laird, and Leimkuhler}}} |
| 147 |
\bibcite{Bernal33}{{17}{1933}{{Bernal and Fowler}}{{}}} |
| 148 |
\bibcite{Rahman72}{{18}{1972}{{Rahman and Stillinger}}{{}}} |
| 149 |
\bibcite{Jorgensen98b}{{19}{1998}{{Jorgensen and Jenson}}{{}}} |
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\bibcite{Clancy94}{{20}{1994}{{B\'{a}ez and Clancy}}{{}}} |
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| 153 |
\bibcite{Mills73}{{23}{1973}{{Mills}}{{}}} |
| 154 |
\bibcite{Head-Gordon00_1}{{24}{2000}{{Hura et~al.}}{{Hura, Sorenson, Glaeser, and Head-Gordon}}} |
| 155 |
\bibcite{Soper86}{{25}{1986}{{Soper and Phillips}}{{}}} |
| 156 |
\bibcite{Sprik91}{{26}{1991}{{Sprik}}{{}}} |
| 157 |
\bibcite{Kusalik02}{{27}{2002}{{Gubskaya and Kusalik}}{{}}} |
| 158 |
\bibcite{Badyal00}{{28}{2000}{{Badyal et~al.}}{{Badyal, Saboungi, Price, Shastri, Haeffner, and Soper}}} |
| 159 |
\bibcite{Barriol64}{{29}{1964}{{Barriol and Weisbecker}}{{}}} |
| 160 |
\bibcite{Karplus83}{{30}{1983}{{Brooks et~al.}}{{Brooks, Bruccoleri, Olafson, States, Swaminathan, and Karplus}}} |
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