| 1 |
\begin{thebibliography}{30} |
| 2 |
\expandafter\ifx\csname natexlab\endcsname\relax\def\natexlab#1{#1}\fi |
| 3 |
\expandafter\ifx\csname bibnamefont\endcsname\relax |
| 4 |
\def\bibnamefont#1{#1}\fi |
| 5 |
\expandafter\ifx\csname bibfnamefont\endcsname\relax |
| 6 |
\def\bibfnamefont#1{#1}\fi |
| 7 |
\expandafter\ifx\csname citenamefont\endcsname\relax |
| 8 |
\def\citenamefont#1{#1}\fi |
| 9 |
\expandafter\ifx\csname url\endcsname\relax |
| 10 |
\def\url#1{\texttt{#1}}\fi |
| 11 |
\expandafter\ifx\csname urlprefix\endcsname\relax\def\urlprefix{URL }\fi |
| 12 |
\providecommand{\bibinfo}[2]{#2} |
| 13 |
\providecommand{\eprint}[2][]{\url{#2}} |
| 14 |
|
| 15 |
\bibitem[{\citenamefont{Jorgensen et~al.}(1983)\citenamefont{Jorgensen, |
| 16 |
Chandrasekhar, Madura, Impey, and Klein}}]{Jorgensen83} |
| 17 |
\bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}, |
| 18 |
\bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Chandrasekhar}}, |
| 19 |
\bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Madura}}, |
| 20 |
\bibinfo{author}{\bibfnamefont{R.~W.} \bibnamefont{Impey}}, \bibnamefont{and} |
| 21 |
\bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Klein}}, |
| 22 |
\bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{79}}, |
| 23 |
\bibinfo{pages}{926} (\bibinfo{year}{1983}). |
| 24 |
|
| 25 |
\bibitem[{\citenamefont{Berendsen et~al.}(1987)\citenamefont{Berendsen, |
| 26 |
Grigera, and Straatsma}}]{Berendsen87} |
| 27 |
\bibinfo{author}{\bibfnamefont{H.~J.~C.} \bibnamefont{Berendsen}}, |
| 28 |
\bibinfo{author}{\bibfnamefont{J.~R.} \bibnamefont{Grigera}}, |
| 29 |
\bibnamefont{and} \bibinfo{author}{\bibfnamefont{T.~P.} |
| 30 |
\bibnamefont{Straatsma}}, \bibinfo{journal}{J. Phys. Chem.} |
| 31 |
\textbf{\bibinfo{volume}{91}}, \bibinfo{pages}{6269} (\bibinfo{year}{1987}). |
| 32 |
|
| 33 |
\bibitem[{\citenamefont{Mahoney and Jorgensen}(2000)}]{Jorgensen00} |
| 34 |
\bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and} |
| 35 |
\bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}, |
| 36 |
\bibinfo{journal}{J. Chem. Phys.} |
| 37 |
\textbf{\bibinfo{volume}{112}}(\bibinfo{number}{20}), \bibinfo{pages}{8910} |
| 38 |
(\bibinfo{year}{2000}). |
| 39 |
|
| 40 |
\bibitem[{\citenamefont{Mahoney and Jorgensen}(2001)}]{Jorgensen01} |
| 41 |
\bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and} |
| 42 |
\bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}, |
| 43 |
\bibinfo{journal}{J. Chem. Phys.} |
| 44 |
\textbf{\bibinfo{volume}{114}}(\bibinfo{number}{1}), \bibinfo{pages}{363} |
| 45 |
(\bibinfo{year}{2001}). |
| 46 |
|
| 47 |
\bibitem[{\citenamefont{Liu and Ichiye}(1996{\natexlab{a}})}]{Ichiye96} |
| 48 |
\bibinfo{author}{\bibfnamefont{Y.}~\bibnamefont{Liu}} \bibnamefont{and} |
| 49 |
\bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}}, |
| 50 |
\bibinfo{journal}{J. Phys. Chem.} \textbf{\bibinfo{volume}{100}}, |
| 51 |
\bibinfo{pages}{2723} (\bibinfo{year}{1996}{\natexlab{a}}). |
| 52 |
|
| 53 |
\bibitem[{\citenamefont{Bratko et~al.}(1985)\citenamefont{Bratko, Blum, and |
| 54 |
Luzar}}]{Bratko85} |
| 55 |
\bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{Bratko}}, |
| 56 |
\bibinfo{author}{\bibfnamefont{L.}~\bibnamefont{Blum}}, \bibnamefont{and} |
| 57 |
\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Luzar}}, \bibinfo{journal}{J. |
| 58 |
Chem. Phys.} \textbf{\bibinfo{volume}{83}}(\bibinfo{number}{12}), |
| 59 |
\bibinfo{pages}{6367} (\bibinfo{year}{1985}). |
| 60 |
|
| 61 |
\bibitem[{\citenamefont{Blum et~al.}(1995)\citenamefont{Blum, Vericat, and |
| 62 |
Bratko}}]{Bratko95} |
| 63 |
\bibinfo{author}{\bibfnamefont{L.}~\bibnamefont{Blum}}, |
| 64 |
\bibinfo{author}{\bibfnamefont{F.}~\bibnamefont{Vericat}}, \bibnamefont{and} |
| 65 |
\bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{Bratko}}, |
| 66 |
\bibinfo{journal}{J. Chem. Phys.} |
| 67 |
\textbf{\bibinfo{volume}{102}}(\bibinfo{number}{3}), \bibinfo{pages}{1461} |
| 68 |
(\bibinfo{year}{1995}). |
| 69 |
|
| 70 |
\bibitem[{\citenamefont{Chandra and Ichiye}(1999)}]{Ichiye99} |
| 71 |
\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Chandra}} \bibnamefont{and} |
| 72 |
\bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}}, |
| 73 |
\bibinfo{journal}{J. Chem. Phys.} |
| 74 |
\textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{2701} |
| 75 |
(\bibinfo{year}{1999}). |
| 76 |
|
| 77 |
\bibitem[{\citenamefont{Sagui and Darden}(1999)}]{Darden99} |
| 78 |
\bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Sagui}} \bibnamefont{and} |
| 79 |
\bibinfo{author}{\bibfnamefont{T.~A.} \bibnamefont{Darden}}, |
| 80 |
\bibinfo{journal}{Annu. Rev. Biophys. Biomol. Struct.} |
| 81 |
\textbf{\bibinfo{volume}{28}}, \bibinfo{pages}{155} (\bibinfo{year}{1999}). |
| 82 |
|
| 83 |
\bibitem[{\citenamefont{Liu and Ichiye}(1996{\natexlab{b}})}]{Ichiye96b} |
| 84 |
\bibinfo{author}{\bibfnamefont{Y.}~\bibnamefont{Liu}} \bibnamefont{and} |
| 85 |
\bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}}, |
| 86 |
\bibinfo{journal}{Chem. Phys. Lett.} \textbf{\bibinfo{volume}{256}}, |
| 87 |
\bibinfo{pages}{334} (\bibinfo{year}{1996}{\natexlab{b}}). |
| 88 |
|
| 89 |
\bibitem[{\citenamefont{Allen and Tildesley}(1987)}]{AllenTildesley} |
| 90 |
\bibinfo{author}{\bibfnamefont{M.~P.} \bibnamefont{Allen}} \bibnamefont{and} |
| 91 |
\bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{Tildesley}}, |
| 92 |
\emph{\bibinfo{title}{Computer Simulation of Liquids}} |
| 93 |
(\bibinfo{publisher}{Oxford University Press}, \bibinfo{address}{New York}, |
| 94 |
\bibinfo{year}{1987}). |
| 95 |
|
| 96 |
\bibitem[{\citenamefont{van~der Spoel et~al.}(1998)\citenamefont{van~der Spoel, |
| 97 |
van Maaren, and Berendsen}}]{Berendsen98} |
| 98 |
\bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{van~der Spoel}}, |
| 99 |
\bibinfo{author}{\bibfnamefont{P.~J.} \bibnamefont{van Maaren}}, |
| 100 |
\bibnamefont{and} \bibinfo{author}{\bibfnamefont{H.~J.~C.} |
| 101 |
\bibnamefont{Berendsen}}, \bibinfo{journal}{J. Chem. Phys.} |
| 102 |
\textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{10220} |
| 103 |
(\bibinfo{year}{1998}). |
| 104 |
|
| 105 |
\bibitem[{\citenamefont{Hoover}(1985)}]{Hoover85} |
| 106 |
\bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}}, |
| 107 |
\bibinfo{journal}{Phys. Rev. A} |
| 108 |
\textbf{\bibinfo{volume}{31}}(\bibinfo{number}{3}), \bibinfo{pages}{1695} |
| 109 |
(\bibinfo{year}{1985}). |
| 110 |
|
| 111 |
\bibitem[{\citenamefont{Hoover}(1986)}]{Hoover86} |
| 112 |
\bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}}, |
| 113 |
\bibinfo{journal}{Phys. Rev. A} |
| 114 |
\textbf{\bibinfo{volume}{34}}(\bibinfo{number}{3}), \bibinfo{pages}{2499} |
| 115 |
(\bibinfo{year}{1986}). |
| 116 |
|
| 117 |
\bibitem[{\citenamefont{Dullweber et~al.}(1997)\citenamefont{Dullweber, |
| 118 |
Leimkuhler, and McLachlan}}]{Dullweber1997} |
| 119 |
\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Dullweber}}, |
| 120 |
\bibinfo{author}{\bibfnamefont{B.}~\bibnamefont{Leimkuhler}}, |
| 121 |
\bibnamefont{and} |
| 122 |
\bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{McLachlan}}, |
| 123 |
\bibinfo{journal}{J. Chem. Phys.} |
| 124 |
\textbf{\bibinfo{volume}{107}}(\bibinfo{number}{15}), \bibinfo{pages}{5840} |
| 125 |
(\bibinfo{year}{1997}). |
| 126 |
|
| 127 |
\bibitem[{\citenamefont{Kol et~al.}(1997)\citenamefont{Kol, Laird, and |
| 128 |
Leimkuhler}}]{Laird97} |
| 129 |
\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Kol}}, |
| 130 |
\bibinfo{author}{\bibfnamefont{B.~B.} \bibnamefont{Laird}}, \bibnamefont{and} |
| 131 |
\bibinfo{author}{\bibfnamefont{B.~J.} \bibnamefont{Leimkuhler}}, |
| 132 |
\bibinfo{journal}{J. Chem. Phys.} |
| 133 |
\textbf{\bibinfo{volume}{107}}(\bibinfo{number}{7}), \bibinfo{pages}{2580} |
| 134 |
(\bibinfo{year}{1997}). |
| 135 |
|
| 136 |
\bibitem[{\citenamefont{Bernal and Fowler}(1933)}]{Bernal33} |
| 137 |
\bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Bernal}} \bibnamefont{and} |
| 138 |
\bibinfo{author}{\bibfnamefont{R.~H.} \bibnamefont{Fowler}}, |
| 139 |
\bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{1}}, |
| 140 |
\bibinfo{pages}{515} (\bibinfo{year}{1933}). |
| 141 |
|
| 142 |
\bibitem[{\citenamefont{Rahman and Stillinger}(1972)}]{Rahman72} |
| 143 |
\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Rahman}} \bibnamefont{and} |
| 144 |
\bibinfo{author}{\bibfnamefont{F.~H.} \bibnamefont{Stillinger}}, |
| 145 |
\bibinfo{journal}{J. Chem. Phys.} |
| 146 |
\textbf{\bibinfo{volume}{57}}(\bibinfo{number}{9}), \bibinfo{pages}{4009} |
| 147 |
(\bibinfo{year}{1972}). |
| 148 |
|
| 149 |
\bibitem[{\citenamefont{Jorgensen and Jenson}(1998)}]{Jorgensen98b} |
| 150 |
\bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}} |
| 151 |
\bibnamefont{and} \bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Jenson}}, |
| 152 |
\bibinfo{journal}{J. Comput. Chem.} |
| 153 |
\textbf{\bibinfo{volume}{19}}(\bibinfo{number}{10}), \bibinfo{pages}{1179} |
| 154 |
(\bibinfo{year}{1998}). |
| 155 |
|
| 156 |
\bibitem[{\citenamefont{B\'{a}ez and Clancy}(1994)}]{Clancy94} |
| 157 |
\bibinfo{author}{\bibfnamefont{L.~A.} \bibnamefont{B\'{a}ez}} \bibnamefont{and} |
| 158 |
\bibinfo{author}{\bibfnamefont{P.}~\bibnamefont{Clancy}}, |
| 159 |
\bibinfo{journal}{J. Chem. Phys.} |
| 160 |
\textbf{\bibinfo{volume}{101}}(\bibinfo{number}{11}), \bibinfo{pages}{9837} |
| 161 |
(\bibinfo{year}{1994}). |
| 162 |
|
| 163 |
\bibitem[{\citenamefont{Weast}(1980)}]{CRC80} |
| 164 |
\bibinfo{editor}{\bibfnamefont{R.~C.} \bibnamefont{Weast}}, ed., |
| 165 |
\emph{\bibinfo{title}{CRC Handbook of Chemistry and Physics}} |
| 166 |
(\bibinfo{publisher}{CRC Press, Inc.}, \bibinfo{address}{Boca Raton, FL}, |
| 167 |
\bibinfo{year}{1980}), \bibinfo{edition}{60th} ed. |
| 168 |
|
| 169 |
\bibitem[{\citenamefont{Gillen et~al.}(1972)\citenamefont{Gillen, Douglas, and |
| 170 |
Hoch}}]{Gillen72} |
| 171 |
\bibinfo{author}{\bibnamefont{Gillen}}, |
| 172 |
\bibinfo{author}{\bibnamefont{Douglas}}, \bibnamefont{and} |
| 173 |
\bibinfo{author}{\bibnamefont{Hoch}}, \bibinfo{journal}{J. Chem. Phys.} |
| 174 |
\textbf{\bibinfo{volume}{57}}, \bibinfo{pages}{5117} (\bibinfo{year}{1972}). |
| 175 |
|
| 176 |
\bibitem[{\citenamefont{Mills}(1973)}]{Mills73} |
| 177 |
\bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{Mills}}, \bibinfo{journal}{J. |
| 178 |
Phys. Chem.} \textbf{\bibinfo{volume}{77}}(\bibinfo{number}{5}), |
| 179 |
\bibinfo{pages}{685} (\bibinfo{year}{1973}). |
| 180 |
|
| 181 |
\bibitem[{\citenamefont{Hura et~al.}(2000)\citenamefont{Hura, Sorenson, |
| 182 |
Glaeser, and Head-Gordon}}]{Head-Gordon00_1} |
| 183 |
\bibinfo{author}{\bibfnamefont{G.}~\bibnamefont{Hura}}, |
| 184 |
\bibinfo{author}{\bibfnamefont{J.~M.} \bibnamefont{Sorenson}}, |
| 185 |
\bibinfo{author}{\bibfnamefont{R.~M.} \bibnamefont{Glaeser}}, |
| 186 |
\bibnamefont{and} |
| 187 |
\bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Head-Gordon}}, |
| 188 |
\bibinfo{journal}{J. Chem. Phys.} |
| 189 |
\textbf{\bibinfo{volume}{113}}(\bibinfo{number}{20}), \bibinfo{pages}{9140} |
| 190 |
(\bibinfo{year}{2000}). |
| 191 |
|
| 192 |
\bibitem[{\citenamefont{Soper and Phillips}(1986)}]{Soper86} |
| 193 |
\bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}} \bibnamefont{and} |
| 194 |
\bibinfo{author}{\bibfnamefont{M.~G.} \bibnamefont{Phillips}}, |
| 195 |
\bibinfo{journal}{Chem. Phys.} |
| 196 |
\textbf{\bibinfo{volume}{107}}(\bibinfo{number}{1}), \bibinfo{pages}{47} |
| 197 |
(\bibinfo{year}{1986}). |
| 198 |
|
| 199 |
\bibitem[{\citenamefont{Sprik}(1991)}]{Sprik91} |
| 200 |
\bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Sprik}}, \bibinfo{journal}{J. |
| 201 |
Chem. Phys.} \textbf{\bibinfo{volume}{95}}(\bibinfo{number}{9}), |
| 202 |
\bibinfo{pages}{6762} (\bibinfo{year}{1991}). |
| 203 |
|
| 204 |
\bibitem[{\citenamefont{Gubskaya and Kusalik}(2002)}]{Kusalik02} |
| 205 |
\bibinfo{author}{\bibfnamefont{A.~V.} \bibnamefont{Gubskaya}} \bibnamefont{and} |
| 206 |
\bibinfo{author}{\bibfnamefont{P.~G.} \bibnamefont{Kusalik}}, |
| 207 |
\bibinfo{journal}{J. Chem. Phys.} |
| 208 |
\textbf{\bibinfo{volume}{117}}(\bibinfo{number}{11}), \bibinfo{pages}{5290} |
| 209 |
(\bibinfo{year}{2002}). |
| 210 |
|
| 211 |
\bibitem[{\citenamefont{Badyal et~al.}(2000)\citenamefont{Badyal, Saboungi, |
| 212 |
Price, Shastri, Haeffner, and Soper}}]{Badyal00} |
| 213 |
\bibinfo{author}{\bibfnamefont{Y.~S.} \bibnamefont{Badyal}}, |
| 214 |
\bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Saboungi}}, |
| 215 |
\bibinfo{author}{\bibfnamefont{D.~L.} \bibnamefont{Price}}, |
| 216 |
\bibinfo{author}{\bibfnamefont{S.~D.} \bibnamefont{Shastri}}, |
| 217 |
\bibinfo{author}{\bibfnamefont{D.~R.} \bibnamefont{Haeffner}}, |
| 218 |
\bibnamefont{and} \bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}}, |
| 219 |
\bibinfo{journal}{J. Chem. Phys.} |
| 220 |
\textbf{\bibinfo{volume}{112}}(\bibinfo{number}{21}), \bibinfo{pages}{9206} |
| 221 |
(\bibinfo{year}{2000}). |
| 222 |
|
| 223 |
\bibitem[{\citenamefont{Barriol and Weisbecker}(1964)}]{Barriol64} |
| 224 |
\bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Barriol}} \bibnamefont{and} |
| 225 |
\bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Weisbecker}}, |
| 226 |
\bibinfo{journal}{Compt. Rend. Acad. Sc. Paris} |
| 227 |
\textbf{\bibinfo{volume}{259}}, \bibinfo{pages}{4643} (\bibinfo{year}{1964}). |
| 228 |
|
| 229 |
\bibitem[{\citenamefont{Brooks et~al.}(1983)\citenamefont{Brooks, Bruccoleri, |
| 230 |
Olafson, States, Swaminathan, and Karplus}}]{Karplus83} |
| 231 |
\bibinfo{author}{\bibfnamefont{B.~R.} \bibnamefont{Brooks}}, |
| 232 |
\bibinfo{author}{\bibfnamefont{R.~E.} \bibnamefont{Bruccoleri}}, |
| 233 |
\bibinfo{author}{\bibfnamefont{B.~D.} \bibnamefont{Olafson}}, |
| 234 |
\bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{States}}, |
| 235 |
\bibinfo{author}{\bibfnamefont{S.}~\bibnamefont{Swaminathan}}, |
| 236 |
\bibnamefont{and} \bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Karplus}}, |
| 237 |
\bibinfo{journal}{J. Comput. Chem.} |
| 238 |
\textbf{\bibinfo{volume}{4}}(\bibinfo{number}{2}), \bibinfo{pages}{187} |
| 239 |
(\bibinfo{year}{1983}). |
| 240 |
|
| 241 |
\end{thebibliography} |
