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\relax |
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\citation{Stillinger74,Rahman75,Berendsen81,Jorgensen83,Bratko85,Berendsen87,Caldwell95,Liu96,Berendsen98,Dill00,Mahoney00,Fennell04} |
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\citation{Yamada02,Marrink94,Gallagher03} |
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\citation{Jorgensen83,Jorgensen98b,Clancy94,Mahoney01} |
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\citation{Sanz04} |
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\citation{Matsumoto02,Yamada02} |
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\citation{Fennell04} |
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\citation{Yang04} |
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\@writefile{toc}{\contentsline {section}{\numberline {1}Introduction}{1}} |
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\citation{Fennell04,Liu96,Bratko85} |
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\citation{Baez95b} |
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\citation{Meineke05} |
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\citation{Frenkel84,Hermens88,Meijer90,Baez95a,Vlot99} |
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\citation{Baez95b} |
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\citation{Sanz04} |
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\citation{Vlot99,Gao00,Sanz04} |
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\@writefile{toc}{\contentsline {section}{\numberline {2}Acknowledgments}{4}} |
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\bibstyle{jcp} |
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\bibdata{iceiPaper} |
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\bibcite{Stillinger74}{1} |
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\bibcite{Rahman75}{2} |
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\bibcite{Berendsen81}{3} |
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\bibcite{Jorgensen83}{4} |
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\bibcite{Bratko85}{5} |
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\bibcite{Berendsen87}{6} |
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\bibcite{Caldwell95}{7} |
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\bibcite{Liu96}{8} |
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\bibcite{Berendsen98}{9} |
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\bibcite{Dill00}{10} |
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\bibcite{Mahoney00}{11} |
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\bibcite{Fennell04}{12} |
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\bibcite{Yamada02}{13} |
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\bibcite{Marrink94}{14} |
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\bibcite{Gallagher03}{15} |
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\bibcite{Jorgensen98b}{16} |
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\bibcite{Clancy94}{17} |
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\bibcite{Mahoney01}{18} |
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\bibcite{Sanz04}{19} |
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\bibcite{Matsumoto02}{20} |
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\bibcite{Yang04}{21} |
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\bibcite{Baez95b}{22} |
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\bibcite{Meineke05}{23} |
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\bibcite{Frenkel84}{24} |
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\bibcite{Hermens88}{25} |
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\bibcite{Meijer90}{26} |
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\bibcite{Baez95a}{27} |
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\bibcite{Vlot99}{28} |
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\bibcite{Gao00}{29} |
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\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces (A) Unit cell for Ice-{\it i}, (B) Ice-{\it i}$^\prime $, and (C) a rendering of a proton ordered crystal of Ice-{\it i} looking down the (001) crystal face. In the unit cells, the spheres represent the center-of-mass locations of the water molecules. The $a$ to $c$ ratios for Ice-{\it i} and Ice-{\it i}$^\prime $ are given by $a:2.1214c$ and $a:1.785c$ respectively. The presence of large octagonal pores in both crystal forms lead to a polymorph that is less dense than ice $I_h$.}}{8}} |
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\newlabel{iCrystal}{{1}{8}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {2}{\ignorespaces Phase diagram for the TIP3P water model in the low pressure regime. The displayed $T_m$ and $T_b$ values are good predictions of the experimental values; however, the solid phases shown are not the experimentally observed forms. Both cubic and hexagonal ice $I$ are higher in energy and don't appear in the phase diagram.}}{9}} |
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\newlabel{tp3PhaseDia}{{2}{9}} |
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\@writefile{lof}{\contentsline {figure}{\numberline {3}{\ignorespaces Free energy as a function of cutoff radius for SSD/E, TIP3P, SPC/E, SSD/RF with a reaction field, and the TIP3P and SPC/E models with an added Ewald correction term. Error for the larger cutoff points is equivalent to that observed at 9.0\r A\ (see Table 1\hbox {}). Data for ice I$_c$ with TIP3P using both 12 and 13.5 \r A\ cutoffs were omitted because the crystal was prone to distortion and melting at 200 K. Ice-{\it i}$^\prime $ is the form of Ice-{\it i} used in the SPC/E simulations.}}{10}} |
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\newlabel{incCutoff}{{3}{10}} |
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\@writefile{lot}{\contentsline {table}{\numberline {1}{\ignorespaces Calculated free energies for several ice polymorphs along with the calculated melting (or sublimation) and boiling points for the investigated water models. All free energy calculations used a cutoff radius of 9.0 \r A\ and were performed at 200 K and $\sim $1 atm. Units of free energy are kcal/mol, while transition temperature are in Kelvin. Calculated error of the final digits is in parentheses.}}{12}} |
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\newlabel{freeEnergy}{{1}{12}} |
