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chrisfen |
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\begin{thebibliography}{29} |
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\def\url#1{\texttt{#1}}\fi |
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\expandafter\ifx\csname urlprefix\endcsname\relax\def\urlprefix{URL }\fi |
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\providecommand{\bibinfo}[2]{#2} |
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\providecommand{\eprint}[2][]{\url{#2}} |
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\bibitem[{\citenamefont{Jorgensen et~al.}(1983)\citenamefont{Jorgensen, |
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Chandrasekhar, Madura, Impey, and Klein}}]{Jorgensen83} |
17 |
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\bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}, |
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\bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Chandrasekhar}}, |
19 |
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\bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Madura}}, |
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\bibinfo{author}{\bibfnamefont{R.~W.} \bibnamefont{Impey}}, \bibnamefont{and} |
21 |
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\bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Klein}}, |
22 |
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\bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{79}}, |
23 |
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\bibinfo{pages}{926} (\bibinfo{year}{1983}). |
24 |
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25 |
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\bibitem[{\citenamefont{Berendsen et~al.}(1987)\citenamefont{Berendsen, |
26 |
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Grigera, and Straatsma}}]{Berendsen87} |
27 |
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\bibinfo{author}{\bibfnamefont{H.~J.~C.} \bibnamefont{Berendsen}}, |
28 |
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\bibinfo{author}{\bibfnamefont{J.~R.} \bibnamefont{Grigera}}, |
29 |
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\bibnamefont{and} \bibinfo{author}{\bibfnamefont{T.~P.} |
30 |
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\bibnamefont{Straatsma}}, \bibinfo{journal}{J. Phys. Chem.} |
31 |
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\textbf{\bibinfo{volume}{91}}, \bibinfo{pages}{6269} (\bibinfo{year}{1987}). |
32 |
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33 |
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\bibitem[{\citenamefont{Mahoney and Jorgensen}(2000)}]{Jorgensen00} |
34 |
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\bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and} |
35 |
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\bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}, |
36 |
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\bibinfo{journal}{J. Chem. Phys.} |
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\textbf{\bibinfo{volume}{112}}(\bibinfo{number}{20}), \bibinfo{pages}{8910} |
38 |
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(\bibinfo{year}{2000}). |
39 |
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40 |
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\bibitem[{\citenamefont{Mahoney and Jorgensen}(2001)}]{Jorgensen01} |
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\bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and} |
42 |
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\bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}, |
43 |
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\bibinfo{journal}{J. Chem. Phys.} |
44 |
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\textbf{\bibinfo{volume}{114}}(\bibinfo{number}{1}), \bibinfo{pages}{363} |
45 |
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(\bibinfo{year}{2001}). |
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47 |
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\bibitem[{\citenamefont{Liu and Ichiye}(1996{\natexlab{a}})}]{Ichiye96} |
48 |
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\bibinfo{author}{\bibfnamefont{Y.}~\bibnamefont{Liu}} \bibnamefont{and} |
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\bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}}, |
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\bibinfo{journal}{J. Phys. Chem.} \textbf{\bibinfo{volume}{100}}, |
51 |
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\bibinfo{pages}{2723} (\bibinfo{year}{1996}{\natexlab{a}}). |
52 |
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53 |
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\bibitem[{\citenamefont{Bratko et~al.}(1985)\citenamefont{Bratko, Blum, and |
54 |
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Luzar}}]{Bratko85} |
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\bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{Bratko}}, |
56 |
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\bibinfo{author}{\bibfnamefont{L.}~\bibnamefont{Blum}}, \bibnamefont{and} |
57 |
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\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Luzar}}, \bibinfo{journal}{J. |
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Chem. Phys.} \textbf{\bibinfo{volume}{83}}(\bibinfo{number}{12}), |
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\bibinfo{pages}{6367} (\bibinfo{year}{1985}). |
60 |
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61 |
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\bibitem[{\citenamefont{Blum et~al.}(1995)\citenamefont{Blum, Vericat, and |
62 |
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Bratko}}]{Bratko95} |
63 |
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\bibinfo{author}{\bibfnamefont{L.}~\bibnamefont{Blum}}, |
64 |
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\bibinfo{author}{\bibfnamefont{F.}~\bibnamefont{Vericat}}, \bibnamefont{and} |
65 |
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\bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{Bratko}}, |
66 |
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\bibinfo{journal}{J. Chem. Phys.} |
67 |
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\textbf{\bibinfo{volume}{102}}(\bibinfo{number}{3}), \bibinfo{pages}{1461} |
68 |
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(\bibinfo{year}{1995}). |
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70 |
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\bibitem[{\citenamefont{Chandra and Ichiye}(1999)}]{Ichiye99} |
71 |
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\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Chandra}} \bibnamefont{and} |
72 |
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\bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}}, |
73 |
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\bibinfo{journal}{J. Chem. Phys.} |
74 |
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\textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{2701} |
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(\bibinfo{year}{1999}). |
76 |
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77 |
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\bibitem[{\citenamefont{Liu and Ichiye}(1996{\natexlab{b}})}]{Ichiye96b} |
78 |
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\bibinfo{author}{\bibfnamefont{Y.}~\bibnamefont{Liu}} \bibnamefont{and} |
79 |
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\bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}}, |
80 |
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\bibinfo{journal}{Chem. Phys. Lett.} \textbf{\bibinfo{volume}{256}}, |
81 |
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\bibinfo{pages}{334} (\bibinfo{year}{1996}{\natexlab{b}}). |
82 |
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83 |
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\bibitem[{\citenamefont{Allen and Tildesley}(1987)}]{AllenTildesley} |
84 |
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\bibinfo{author}{\bibfnamefont{M.~P.} \bibnamefont{Allen}} \bibnamefont{and} |
85 |
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\bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{Tildesley}}, |
86 |
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\emph{\bibinfo{title}{Computer Simulation of Liquids}} |
87 |
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(\bibinfo{publisher}{Oxford University Press}, \bibinfo{address}{New York}, |
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\bibinfo{year}{1987}). |
89 |
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90 |
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\bibitem[{\citenamefont{van~der Spoel et~al.}(1998)\citenamefont{van~der Spoel, |
91 |
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van Maaren, and Berendsen}}]{Berendsen98} |
92 |
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\bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{van~der Spoel}}, |
93 |
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\bibinfo{author}{\bibfnamefont{P.~J.} \bibnamefont{van Maaren}}, |
94 |
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\bibnamefont{and} \bibinfo{author}{\bibfnamefont{H.~J.~C.} |
95 |
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\bibnamefont{Berendsen}}, \bibinfo{journal}{J. Chem. Phys.} |
96 |
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\textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{10220} |
97 |
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(\bibinfo{year}{1998}). |
98 |
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\bibitem[{\citenamefont{Hoover}(1985)}]{Hoover85} |
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\bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}}, |
101 |
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\bibinfo{journal}{Phys. Rev. A} |
102 |
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\textbf{\bibinfo{volume}{31}}(\bibinfo{number}{3}), \bibinfo{pages}{1695} |
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(\bibinfo{year}{1985}). |
104 |
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105 |
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\bibitem[{\citenamefont{Hoover}(1986)}]{Hoover86} |
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\bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}}, |
107 |
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\bibinfo{journal}{Phys. Rev. A} |
108 |
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\textbf{\bibinfo{volume}{34}}(\bibinfo{number}{3}), \bibinfo{pages}{2499} |
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(\bibinfo{year}{1986}). |
110 |
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111 |
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\bibitem[{\citenamefont{Dullweber et~al.}(1997)\citenamefont{Dullweber, |
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Leimkuhler, and McLachlan}}]{Dullweber1997} |
113 |
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\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Dullweber}}, |
114 |
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\bibinfo{author}{\bibfnamefont{B.}~\bibnamefont{Leimkuhler}}, |
115 |
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\bibnamefont{and} |
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\bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{McLachlan}}, |
117 |
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\bibinfo{journal}{J. Chem. Phys.} |
118 |
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\textbf{\bibinfo{volume}{107}}(\bibinfo{number}{15}), \bibinfo{pages}{5840} |
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\bibitem[{\citenamefont{Kol et~al.}(1997)\citenamefont{Kol, Laird, and |
122 |
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Leimkuhler}}]{Laird97} |
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\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Kol}}, |
124 |
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\bibinfo{author}{\bibfnamefont{B.~B.} \bibnamefont{Laird}}, \bibnamefont{and} |
125 |
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\bibinfo{author}{\bibfnamefont{B.~J.} \bibnamefont{Leimkuhler}}, |
126 |
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\bibinfo{journal}{J. Chem. Phys.} |
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\textbf{\bibinfo{volume}{107}}(\bibinfo{number}{7}), \bibinfo{pages}{2580} |
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(\bibinfo{year}{1997}). |
129 |
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130 |
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\bibitem[{\citenamefont{Bernal and Fowler}(1933)}]{Bernal33} |
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\bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Bernal}} \bibnamefont{and} |
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\bibinfo{author}{\bibfnamefont{R.~H.} \bibnamefont{Fowler}}, |
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\bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{1}}, |
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\bibinfo{pages}{515} (\bibinfo{year}{1933}). |
135 |
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\bibitem[{\citenamefont{Rahman and Stillinger}(1972)}]{Rahman72} |
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\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Rahman}} \bibnamefont{and} |
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\bibinfo{author}{\bibfnamefont{F.~H.} \bibnamefont{Stillinger}}, |
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\bibinfo{journal}{J. Chem. Phys.} |
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\textbf{\bibinfo{volume}{57}}(\bibinfo{number}{9}), \bibinfo{pages}{4009} |
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\bibitem[{\citenamefont{Jorgensen and Jenson}(1998)}]{Jorgensen98b} |
144 |
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\bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}} |
145 |
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\bibnamefont{and} \bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Jenson}}, |
146 |
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\bibinfo{journal}{J. Comput. Chem.} |
147 |
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\textbf{\bibinfo{volume}{19}}(\bibinfo{number}{10}), \bibinfo{pages}{1179} |
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150 |
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\bibitem[{\citenamefont{B\'{a}ez and Clancy}(1994)}]{Clancy94} |
151 |
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\bibinfo{author}{\bibfnamefont{L.~A.} \bibnamefont{B\'{a}ez}} \bibnamefont{and} |
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\bibinfo{author}{\bibfnamefont{P.}~\bibnamefont{Clancy}}, |
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\bibinfo{journal}{J. Chem. Phys.} |
154 |
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\textbf{\bibinfo{volume}{101}}(\bibinfo{number}{11}), \bibinfo{pages}{9837} |
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156 |
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\bibitem[{\citenamefont{Weast}(1980)}]{CRC80} |
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\bibinfo{editor}{\bibfnamefont{R.~C.} \bibnamefont{Weast}}, ed., |
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\emph{\bibinfo{title}{CRC Handbook of Chemistry and Physics}} |
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(\bibinfo{publisher}{CRC Press, Inc.}, \bibinfo{address}{Boca Raton, FL}, |
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\bibinfo{year}{1980}), \bibinfo{edition}{60th} ed. |
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\bibitem[{\citenamefont{Gillen et~al.}(1972)\citenamefont{Gillen, Douglas, and |
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Hoch}}]{Gillen72} |
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\bibinfo{author}{\bibnamefont{Gillen}}, |
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\bibinfo{author}{\bibnamefont{Douglas}}, \bibnamefont{and} |
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\bibinfo{author}{\bibnamefont{Hoch}}, \bibinfo{journal}{J. Chem. Phys.} |
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\textbf{\bibinfo{volume}{57}}, \bibinfo{pages}{5117} (\bibinfo{year}{1972}). |
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\bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{Mills}}, \bibinfo{journal}{J. |
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Glaeser, and Head-Gordon}}]{Head-Gordon00_1} |
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\bibinfo{author}{\bibfnamefont{G.}~\bibnamefont{Hura}}, |
178 |
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\bibinfo{author}{\bibfnamefont{J.~M.} \bibnamefont{Sorenson}}, |
179 |
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\bibinfo{author}{\bibfnamefont{R.~M.} \bibnamefont{Glaeser}}, |
180 |
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\bibnamefont{and} |
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\bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Head-Gordon}}, |
182 |
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\bibinfo{journal}{J. Chem. Phys.} |
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\textbf{\bibinfo{volume}{113}}(\bibinfo{number}{20}), \bibinfo{pages}{9140} |
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\bibitem[{\citenamefont{Soper and Phillips}(1986)}]{Soper86} |
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\bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}} \bibnamefont{and} |
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\bibinfo{author}{\bibfnamefont{M.~G.} \bibnamefont{Phillips}}, |
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\bibinfo{journal}{Chem. Phys.} |
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\textbf{\bibinfo{volume}{107}}(\bibinfo{number}{1}), \bibinfo{pages}{47} |
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\bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Sprik}}, \bibinfo{journal}{J. |
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Chem. Phys.} \textbf{\bibinfo{volume}{95}}(\bibinfo{number}{9}), |
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\bibitem[{\citenamefont{Gubskaya and Kusalik}(2002)}]{Kusalik02} |
199 |
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\bibinfo{author}{\bibfnamefont{A.~V.} \bibnamefont{Gubskaya}} \bibnamefont{and} |
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\bibinfo{author}{\bibfnamefont{P.~G.} \bibnamefont{Kusalik}}, |
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\bibinfo{journal}{J. Chem. Phys.} |
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\textbf{\bibinfo{volume}{117}}(\bibinfo{number}{11}), \bibinfo{pages}{5290} |
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Price, Shastri, Haeffner, and Soper}}]{Badyal00} |
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208 |
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\bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Saboungi}}, |
209 |
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\bibinfo{author}{\bibfnamefont{D.~L.} \bibnamefont{Price}}, |
210 |
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\bibinfo{author}{\bibfnamefont{S.~D.} \bibnamefont{Shastri}}, |
211 |
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\bibinfo{author}{\bibfnamefont{D.~R.} \bibnamefont{Haeffner}}, |
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\bibnamefont{and} \bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}}, |
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\bibinfo{journal}{J. Chem. Phys.} |
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\textbf{\bibinfo{volume}{112}}(\bibinfo{number}{21}), \bibinfo{pages}{9206} |
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218 |
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\bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Barriol}} \bibnamefont{and} |
219 |
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\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Weisbecker}}, |
220 |
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\bibinfo{journal}{Compt. Rend. Acad. Sc. Paris} |
221 |
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\textbf{\bibinfo{volume}{259}}, \bibinfo{pages}{4643} (\bibinfo{year}{1964}). |
222 |
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223 |
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\bibitem[{\citenamefont{Brooks et~al.}(1983)\citenamefont{Brooks, Bruccoleri, |
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Olafson, States, Swaminathan, and Karplus}}]{Karplus83} |
225 |
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\bibinfo{author}{\bibfnamefont{B.~R.} \bibnamefont{Brooks}}, |
226 |
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\bibinfo{author}{\bibfnamefont{R.~E.} \bibnamefont{Bruccoleri}}, |
227 |
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\bibinfo{author}{\bibfnamefont{B.~D.} \bibnamefont{Olafson}}, |
228 |
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\bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{States}}, |
229 |
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\bibinfo{author}{\bibfnamefont{S.}~\bibnamefont{Swaminathan}}, |
230 |
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\bibnamefont{and} \bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Karplus}}, |
231 |
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\bibinfo{journal}{J. Comput. Chem.} |
232 |
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\textbf{\bibinfo{volume}{4}}(\bibinfo{number}{2}), \bibinfo{pages}{187} |
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234 |
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\end{thebibliography} |