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\@writefile{lof}{\contentsline {figure}{\numberline {5}{\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 {7}{\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 {9}{\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 {10}{\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 {11}{\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 {12}{\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 {14}{\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{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{Ichiye96b}{{9}{1996{}}{{Liu and Ichiye}}{{}}} |
| 143 |
\bibcite{AllenTildesley}{{10}{1987}{{Allen and Tildesley}}{{}}} |
| 144 |
\bibcite{Berendsen98}{{11}{1998}{{van~der Spoel et~al.}}{{van~der Spoel, van Maaren, and Berendsen}}} |
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\bibcite{Hoover85}{{12}{1985}{{Hoover}}{{}}} |
| 146 |
\bibcite{Hoover86}{{13}{1986}{{Hoover}}{{}}} |
| 147 |
\bibcite{Dullweber1997}{{14}{1997}{{Dullweber et~al.}}{{Dullweber, Leimkuhler, and McLachlan}}} |
| 148 |
\bibcite{Laird97}{{15}{1997}{{Kol et~al.}}{{Kol, Laird, and Leimkuhler}}} |
| 149 |
\bibcite{Bernal33}{{16}{1933}{{Bernal and Fowler}}{{}}} |
| 150 |
\bibcite{Rahman72}{{17}{1972}{{Rahman and Stillinger}}{{}}} |
| 151 |
\bibcite{Jorgensen98b}{{18}{1998}{{Jorgensen and Jenson}}{{}}} |
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\bibcite{Clancy94}{{19}{1994}{{B\'{a}ez and Clancy}}{{}}} |
| 153 |
\bibcite{CRC80}{{20}{1980}{{Weast}}{{}}} |
| 154 |
\bibcite{Gillen72}{{21}{1972}{{Gillen et~al.}}{{Gillen, Douglas, and Hoch}}} |
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\bibcite{Mills73}{{22}{1973}{{Mills}}{{}}} |
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\bibcite{Head-Gordon00_1}{{23}{2000}{{Hura et~al.}}{{Hura, Sorenson, Glaeser, and Head-Gordon}}} |
| 157 |
\bibcite{Soper86}{{24}{1986}{{Soper and Phillips}}{{}}} |
| 158 |
\bibcite{Sprik91}{{25}{1991}{{Sprik}}{{}}} |
| 159 |
\bibcite{Kusalik02}{{26}{2002}{{Gubskaya and Kusalik}}{{}}} |
| 160 |
\bibcite{Badyal00}{{27}{2000}{{Badyal et~al.}}{{Badyal, Saboungi, Price, Shastri, Haeffner, and Soper}}} |
| 161 |
\bibcite{Barriol64}{{28}{1964}{{Barriol and Weisbecker}}{{}}} |
| 162 |
\bibcite{Karplus83}{{29}{1983}{{Brooks et~al.}}{{Brooks, Bruccoleri, Olafson, States, Swaminathan, and Karplus}}} |
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