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Revision 856 by chrisfen, Thu Nov 6 23:00:00 2003 UTC

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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}}
1 > \begin{thebibliography}{10}
2  
3 < \bibitem[{\citenamefont{Jorgensen et~al.}(1983)\citenamefont{Jorgensen,
4 <  Chandrasekhar, Madura, Impey, and Klein}}]{Jorgensen83}
5 < \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}).
3 > \bibitem{Jorgensen83}
4 > W.~L. Jorgensen, J.~Chandrasekhar, J.~D. Madura, R.~W. Impey, and M.~L. Klein.
5 > \newblock {\em J. Chem. Phys.}, {\bf 79},\hspace{0.25em}926--935, (1983).
6  
7 < \bibitem[{\citenamefont{Berendsen et~al.}(1987)\citenamefont{Berendsen,
8 <  Grigera, and Straatsma}}]{Berendsen87}
9 < \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}).
7 > \bibitem{Berendsen87}
8 > H.~J.~C. Berendsen, J.~R. Grigera, and T.~P. Straatsma.
9 > \newblock {\em J. Phys. Chem.}, {\bf 91},\hspace{0.25em}6269--6271, (1987).
10  
11 < \bibitem[{\citenamefont{Mahoney and Jorgensen}(2000)}]{Jorgensen00}
12 < \bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and}
13 <  \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}},
14 <  \bibinfo{journal}{J. Chem. Phys.}
37 <  \textbf{\bibinfo{volume}{112}}(\bibinfo{number}{20}), \bibinfo{pages}{8910}
38 <  (\bibinfo{year}{2000}).
11 > \bibitem{Jorgensen00}
12 > M.~W. Mahoney and W.~L. Jorgensen.
13 > \newblock {\em J. Chem. Phys.}, {\bf 112}(20),\hspace{0.25em}8910--8922,
14 >  (2000).
15  
16 < \bibitem[{\citenamefont{Mahoney and Jorgensen}(2001)}]{Jorgensen01}
17 < \bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and}
18 <  \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}).
16 > \bibitem{Jorgensen01}
17 > M.~W. Mahoney and W.~L. Jorgensen.
18 > \newblock {\em J. Chem. Phys.}, {\bf 114}(1),\hspace{0.25em}363--366, (2001).
19  
20 < \bibitem[{\citenamefont{Liu and Ichiye}(1996)}]{Ichiye96}
21 < \bibinfo{author}{\bibfnamefont{Y.}~\bibnamefont{Liu}} \bibnamefont{and}
22 <  \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}},
50 <  \bibinfo{journal}{J. Phys. Chem.} \textbf{\bibinfo{volume}{100}},
51 <  \bibinfo{pages}{2723} (\bibinfo{year}{1996}).
20 > \bibitem{Ichiye96}
21 > Y.~Liu and T.~Ichiye.
22 > \newblock {\em J. Phys. Chem.}, {\bf 100},\hspace{0.25em}2723--2730, (1996).
23  
24 < \bibitem[{\citenamefont{Bratko et~al.}(1985)\citenamefont{Bratko, Blum, and
25 <  Luzar}}]{Bratko85}
26 < \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}).
24 > \bibitem{Bratko85}
25 > D.~Bratko, L.~Blum, and A.~Luzar.
26 > \newblock {\em J. Chem. Phys.}, {\bf 83}(12),\hspace{0.25em}6367--6370, (1985).
27  
28 < \bibitem[{\citenamefont{Blum et~al.}(1995)\citenamefont{Blum, Vericat, and
29 <  Bratko}}]{Bratko95}
30 < \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}).
28 > \bibitem{Bratko95}
29 > L.~Blum, F.~Vericat, and D.~Bratko.
30 > \newblock {\em J. Chem. Phys.}, {\bf 102}(3),\hspace{0.25em}1461--1462, (1995).
31  
32 < \bibitem[{\citenamefont{Chandra and Ichiye}(1999)}]{Ichiye99}
33 < \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Chandra}} \bibnamefont{and}
34 <  \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}).
32 > \bibitem{Ichiye99}
33 > A.~Chandra and T.~Ichiye.
34 > \newblock {\em J. Chem. Phys.}, {\bf 111}(6),\hspace{0.25em}2701--2709, (1999).
35  
36 < \bibitem[{\citenamefont{Sagui and Darden}(1999)}]{Darden99}
37 < \bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Sagui}} \bibnamefont{and}
38 <  \bibinfo{author}{\bibfnamefont{T.~A.} \bibnamefont{Darden}},
39 <  \bibinfo{journal}{Annu. Rev. Biophys. Biomol. Struct.}
81 <  \textbf{\bibinfo{volume}{28}}, \bibinfo{pages}{155} (\bibinfo{year}{1999}).
36 > \bibitem{Darden99}
37 > C.~Sagui and T.~A. Darden.
38 > \newblock {\em Annu. Rev. Biophys. Biomol. Struct.}, {\bf
39 >  28},\hspace{0.25em}155--179, (1999).
40  
41 < \bibitem[{\citenamefont{Tan et~al.}(2003)\citenamefont{Tan, Fischer, Chandra,
42 <  Brooks, and Ichiye}}]{Ichiye03}
43 < \bibinfo{author}{\bibfnamefont{M.-L.} \bibnamefont{Tan}},
86 <  \bibinfo{author}{\bibfnamefont{J.~T.} \bibnamefont{Fischer}},
87 <  \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Chandra}},
88 <  \bibinfo{author}{\bibfnamefont{B.~R.} \bibnamefont{Brooks}},
89 <  \bibnamefont{and} \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}},
90 <  \bibinfo{journal}{Chem. Phys. Lett.} \textbf{\bibinfo{volume}{376}},
91 <  \bibinfo{pages}{646} (\bibinfo{year}{2003}).
41 > \bibitem{Ichiye03}
42 > M.-L. Tan, J.~T. Fischer, A.~Chandra, B.~R. Brooks, and T.~Ichiye.
43 > \newblock {\em Chem. Phys. Lett.}, {\bf 376},\hspace{0.25em}646--652, (2003).
44  
45 < \bibitem[{\citenamefont{Allen and Tildesley}(1987)}]{AllenTildesley}
46 < \bibinfo{author}{\bibfnamefont{M.~P.} \bibnamefont{Allen}} \bibnamefont{and}
47 <  \bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{Tildesley}},
48 <  \emph{\bibinfo{title}{Computer Simulation of Liquids}}
97 <  (\bibinfo{publisher}{Oxford University Press}, \bibinfo{address}{New York},
98 <  \bibinfo{year}{1987}).
45 > \bibitem{AllenTildesley}
46 > M.~P. Allen and D.~J. Tildesley.
47 > \newblock {\em Computer Simulation of Liquids}.
48 > \newblock Oxford University Press, New York, (1987).
49  
50 < \bibitem[{\citenamefont{van~der Spoel et~al.}(1998)\citenamefont{van~der Spoel,
51 <  van Maaren, and Berendsen}}]{Berendsen98}
52 < \bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{van~der Spoel}},
53 <  \bibinfo{author}{\bibfnamefont{P.~J.} \bibnamefont{van Maaren}},
104 <  \bibnamefont{and} \bibinfo{author}{\bibfnamefont{H.~J.~C.}
105 <  \bibnamefont{Berendsen}}, \bibinfo{journal}{J. Chem. Phys.}
106 <  \textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{10220}
107 <  (\bibinfo{year}{1998}).
50 > \bibitem{Berendsen98}
51 > D.~van~der Spoel, P.~J. van Maaren, and H.~J.~C. Berendsen.
52 > \newblock {\em J. Chem. Phys.}, {\bf 111}(6),\hspace{0.25em}10220--10230,
53 >  (1998).
54  
55 < \bibitem[{\citenamefont{Hoover}(1985)}]{Hoover85}
56 < \bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}},
57 <  \bibinfo{journal}{Phys. Rev. A}
112 <  \textbf{\bibinfo{volume}{31}}(\bibinfo{number}{3}), \bibinfo{pages}{1695}
113 <  (\bibinfo{year}{1985}).
55 > \bibitem{Hoover85}
56 > W.~G. Hoover.
57 > \newblock {\em Phys. Rev. A}, {\bf 31}(3),\hspace{0.25em}1695--1697, (1985).
58  
59 < \bibitem[{\citenamefont{Hoover}(1986)}]{Hoover86}
60 < \bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}},
61 <  \bibinfo{journal}{Phys. Rev. A}
118 <  \textbf{\bibinfo{volume}{34}}(\bibinfo{number}{3}), \bibinfo{pages}{2499}
119 <  (\bibinfo{year}{1986}).
59 > \bibitem{Hoover86}
60 > W.~G. Hoover.
61 > \newblock {\em Phys. Rev. A}, {\bf 34}(3),\hspace{0.25em}2499--2500, (1986).
62  
63 < \bibitem[{\citenamefont{Dullweber et~al.}(1997)\citenamefont{Dullweber,
64 <  Leimkuhler, and McLachlan}}]{Dullweber1997}
65 < \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Dullweber}},
66 <  \bibinfo{author}{\bibfnamefont{B.}~\bibnamefont{Leimkuhler}},
125 <  \bibnamefont{and}
126 <  \bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{McLachlan}},
127 <  \bibinfo{journal}{J. Chem. Phys.}
128 <  \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{15}), \bibinfo{pages}{5840}
129 <  (\bibinfo{year}{1997}).
63 > \bibitem{Dullweber1997}
64 > A.~Dullweber, B.~Leimkuhler, and R.~McLachlan.
65 > \newblock {\em J. Chem. Phys.}, {\bf 107}(15),\hspace{0.25em}5840--5851,
66 >  (1997).
67  
68 < \bibitem[{\citenamefont{Kol et~al.}(1997)\citenamefont{Kol, Laird, and
69 <  Leimkuhler}}]{Laird97}
70 < \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Kol}},
134 <  \bibinfo{author}{\bibfnamefont{B.~B.} \bibnamefont{Laird}}, \bibnamefont{and}
135 <  \bibinfo{author}{\bibfnamefont{B.~J.} \bibnamefont{Leimkuhler}},
136 <  \bibinfo{journal}{J. Chem. Phys.}
137 <  \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{7}), \bibinfo{pages}{2580}
138 <  (\bibinfo{year}{1997}).
68 > \bibitem{Laird97}
69 > A.~Kol, B.~B. Laird, and B.~J. Leimkuhler.
70 > \newblock {\em J. Chem. Phys.}, {\bf 107}(7),\hspace{0.25em}2580--2588, (1997).
71  
72 < \bibitem[{\citenamefont{Bernal and Fowler}(1933)}]{Bernal33}
73 < \bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Bernal}} \bibnamefont{and}
74 <  \bibinfo{author}{\bibfnamefont{R.~H.} \bibnamefont{Fowler}},
143 <  \bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{1}},
144 <  \bibinfo{pages}{515} (\bibinfo{year}{1933}).
72 > \bibitem{Bernal33}
73 > J.~D. Bernal and R.~H. Fowler.
74 > \newblock {\em J. Chem. Phys.}, {\bf 1},\hspace{0.25em}515, (1933).
75  
76 < \bibitem[{\citenamefont{Rahman and Stillinger}(1972)}]{Rahman72}
77 < \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Rahman}} \bibnamefont{and}
78 <  \bibinfo{author}{\bibfnamefont{F.~H.} \bibnamefont{Stillinger}},
149 <  \bibinfo{journal}{J. Chem. Phys.}
150 <  \textbf{\bibinfo{volume}{57}}(\bibinfo{number}{9}), \bibinfo{pages}{4009}
151 <  (\bibinfo{year}{1972}).
76 > \bibitem{Rahman72}
77 > A.~Rahman and F.~H. Stillinger.
78 > \newblock {\em J. Chem. Phys.}, {\bf 57}(9),\hspace{0.25em}4009--4017, (1972).
79  
80 < \bibitem[{\citenamefont{Jorgensen and Jenson}(1998)}]{Jorgensen98b}
81 < \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}
82 <  \bibnamefont{and} \bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Jenson}},
83 <  \bibinfo{journal}{J. Comput. Chem.}
157 <  \textbf{\bibinfo{volume}{19}}(\bibinfo{number}{10}), \bibinfo{pages}{1179}
158 <  (\bibinfo{year}{1998}).
80 > \bibitem{Jorgensen98b}
81 > W.~L. Jorgensen and C.~Jenson.
82 > \newblock {\em J. Comput. Chem.}, {\bf 19}(10),\hspace{0.25em}1179--1186,
83 >  (1998).
84  
85 < \bibitem[{\citenamefont{B\'{a}ez and Clancy}(1994)}]{Clancy94}
86 < \bibinfo{author}{\bibfnamefont{L.~A.} \bibnamefont{B\'{a}ez}} \bibnamefont{and}
87 <  \bibinfo{author}{\bibfnamefont{P.}~\bibnamefont{Clancy}},
88 <  \bibinfo{journal}{J. Chem. Phys.}
164 <  \textbf{\bibinfo{volume}{101}}(\bibinfo{number}{11}), \bibinfo{pages}{9837}
165 <  (\bibinfo{year}{1994}).
85 > \bibitem{Clancy94}
86 > L.~A. B\'{a}ez and P.~Clancy.
87 > \newblock {\em J. Chem. Phys.}, {\bf 101}(11),\hspace{0.25em}9837--9840,
88 >  (1994).
89  
90 < \bibitem[{\citenamefont{Weast}(1980)}]{CRC80}
91 < \bibinfo{editor}{\bibfnamefont{R.~C.} \bibnamefont{Weast}}, ed.,
92 <  \emph{\bibinfo{title}{CRC Handbook of Chemistry and Physics}}
93 <  (\bibinfo{publisher}{CRC Press, Inc.}, \bibinfo{address}{Boca Raton, FL},
171 <  \bibinfo{year}{1980}), \bibinfo{edition}{60th} ed.
90 > \bibitem{CRC80}
91 > R.~C. Weast, editor.
92 > \newblock {\em CRC Handbook of Chemistry and Physics}.
93 > \newblock CRC Press, Inc., Boca Raton, FL, 60 edition, (1980).
94  
95 < \bibitem[{\citenamefont{Gillen et~al.}(1972)\citenamefont{Gillen, Douglas, and
96 <  Hoch}}]{Gillen72}
97 < \bibinfo{author}{\bibfnamefont{K.~T.} \bibnamefont{Gillen}},
176 <  \bibinfo{author}{\bibfnamefont{D.~C.} \bibnamefont{Douglas}},
177 <  \bibnamefont{and} \bibinfo{author}{\bibfnamefont{M.~J.~R.}
178 <  \bibnamefont{Hoch}}, \bibinfo{journal}{J. Chem. Phys.}
179 <  \textbf{\bibinfo{volume}{57}}, \bibinfo{pages}{5117} (\bibinfo{year}{1972}).
95 > \bibitem{Gillen72}
96 > K.~T. Gillen, D.~C. Douglas, and M.~J.~R. Hoch.
97 > \newblock {\em J. Chem. Phys.}, {\bf 57},\hspace{0.25em}5117--5119, (1972).
98  
99 < \bibitem[{\citenamefont{Mills}(1973)}]{Mills73}
100 < \bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{Mills}}, \bibinfo{journal}{J.
101 <  Phys. Chem.} \textbf{\bibinfo{volume}{77}}(\bibinfo{number}{5}),
184 <  \bibinfo{pages}{685} (\bibinfo{year}{1973}).
99 > \bibitem{Mills73}
100 > R.~Mills.
101 > \newblock {\em J. Phys. Chem.}, {\bf 77}(5),\hspace{0.25em}685--688, (1973).
102  
103 < \bibitem[{\citenamefont{Hura et~al.}(2000)\citenamefont{Hura, Sorenson,
104 <  Glaeser, and Head-Gordon}}]{Head-Gordon00_1}
105 < \bibinfo{author}{\bibfnamefont{G.}~\bibnamefont{Hura}},
106 <  \bibinfo{author}{\bibfnamefont{J.~M.} \bibnamefont{Sorenson}},
190 <  \bibinfo{author}{\bibfnamefont{R.~M.} \bibnamefont{Glaeser}},
191 <  \bibnamefont{and}
192 <  \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Head-Gordon}},
193 <  \bibinfo{journal}{J. Chem. Phys.}
194 <  \textbf{\bibinfo{volume}{113}}(\bibinfo{number}{20}), \bibinfo{pages}{9140}
195 <  (\bibinfo{year}{2000}).
103 > \bibitem{Head-Gordon00_1}
104 > G.~Hura, J.~M. Sorenson, R.~M. Glaeser, and T.~Head-Gordon.
105 > \newblock {\em J. Chem. Phys.}, {\bf 113}(20),\hspace{0.25em}9140--9148,
106 >  (2000).
107  
108 < \bibitem[{\citenamefont{Soper and Phillips}(1986)}]{Soper86}
109 < \bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}} \bibnamefont{and}
110 <  \bibinfo{author}{\bibfnamefont{M.~G.} \bibnamefont{Phillips}},
200 <  \bibinfo{journal}{Chem. Phys.}
201 <  \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{1}), \bibinfo{pages}{47}
202 <  (\bibinfo{year}{1986}).
108 > \bibitem{Soper86}
109 > A.~K. Soper and M.~G. Phillips.
110 > \newblock {\em Chem. Phys.}, {\bf 107}(1),\hspace{0.25em}47--60, (1986).
111  
112 < \bibitem[{\citenamefont{Sprik}(1991)}]{Sprik91}
113 < \bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Sprik}}, \bibinfo{journal}{J.
114 <  Chem. Phys.} \textbf{\bibinfo{volume}{95}}(\bibinfo{number}{9}),
207 <  \bibinfo{pages}{6762} (\bibinfo{year}{1991}).
112 > \bibitem{Sprik91}
113 > M.~Sprik.
114 > \newblock {\em J. Chem. Phys.}, {\bf 95}(9),\hspace{0.25em}6762--6769, (1991).
115  
116 < \bibitem[{\citenamefont{Gubskaya and Kusalik}(2002)}]{Kusalik02}
117 < \bibinfo{author}{\bibfnamefont{A.~V.} \bibnamefont{Gubskaya}} \bibnamefont{and}
118 <  \bibinfo{author}{\bibfnamefont{P.~G.} \bibnamefont{Kusalik}},
119 <  \bibinfo{journal}{J. Chem. Phys.}
213 <  \textbf{\bibinfo{volume}{117}}(\bibinfo{number}{11}), \bibinfo{pages}{5290}
214 <  (\bibinfo{year}{2002}).
116 > \bibitem{Kusalik02}
117 > A.~V. Gubskaya and P.~G. Kusalik.
118 > \newblock {\em J. Chem. Phys.}, {\bf 117}(11),\hspace{0.25em}5290--5302,
119 >  (2002).
120  
121 < \bibitem[{\citenamefont{Badyal et~al.}(2000)\citenamefont{Badyal, Saboungi,
122 <  Price, Shastri, Haeffner, and Soper}}]{Badyal00}
123 < \bibinfo{author}{\bibfnamefont{Y.~S.} \bibnamefont{Badyal}},
124 <  \bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Saboungi}},
125 <  \bibinfo{author}{\bibfnamefont{D.~L.} \bibnamefont{Price}},
221 <  \bibinfo{author}{\bibfnamefont{S.~D.} \bibnamefont{Shastri}},
222 <  \bibinfo{author}{\bibfnamefont{D.~R.} \bibnamefont{Haeffner}},
223 <  \bibnamefont{and} \bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}},
224 <  \bibinfo{journal}{J. Chem. Phys.}
225 <  \textbf{\bibinfo{volume}{112}}(\bibinfo{number}{21}), \bibinfo{pages}{9206}
226 <  (\bibinfo{year}{2000}).
121 > \bibitem{Badyal00}
122 > Y.~S. Badyal, M.~L. Saboungi, D.~L. Price, S.~D. Shastri, D.~R. Haeffner, and
123 >  A.~K. Soper.
124 > \newblock {\em J. Chem. Phys.}, {\bf 112}(21),\hspace{0.25em}9206--9208,
125 >  (2000).
126  
127 < \bibitem[{\citenamefont{Barriol and Weisbecker}(1964)}]{Barriol64}
128 < \bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Barriol}} \bibnamefont{and}
129 <  \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Weisbecker}},
130 <  \bibinfo{journal}{Compt. Rend. Acad. Sc. Paris}
232 <  \textbf{\bibinfo{volume}{259}}, \bibinfo{pages}{4643} (\bibinfo{year}{1964}).
127 > \bibitem{Barriol64}
128 > J.~Barriol and A.~Weisbecker.
129 > \newblock {\em Compt. Rend. Acad. Sc. Paris}, {\bf
130 >  259},\hspace{0.25em}4643--4645, (1964).
131  
132 < \bibitem[{\citenamefont{Brooks et~al.}(1983)\citenamefont{Brooks, Bruccoleri,
133 <  Olafson, States, Swaminathan, and Karplus}}]{Karplus83}
134 < \bibinfo{author}{\bibfnamefont{B.~R.} \bibnamefont{Brooks}},
135 <  \bibinfo{author}{\bibfnamefont{R.~E.} \bibnamefont{Bruccoleri}},
238 <  \bibinfo{author}{\bibfnamefont{B.~D.} \bibnamefont{Olafson}},
239 <  \bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{States}},
240 <  \bibinfo{author}{\bibfnamefont{S.}~\bibnamefont{Swaminathan}},
241 <  \bibnamefont{and} \bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Karplus}},
242 <  \bibinfo{journal}{J. Comput. Chem.}
243 <  \textbf{\bibinfo{volume}{4}}(\bibinfo{number}{2}), \bibinfo{pages}{187}
244 <  (\bibinfo{year}{1983}).
132 > \bibitem{Karplus83}
133 > B.~R. Brooks, R.~E. Bruccoleri, B.~D. Olafson, D.~J. States, S.~Swaminathan,
134 >  and M.~Karplus.
135 > \newblock {\em J. Comput. Chem.}, {\bf 4}(2),\hspace{0.25em}187--217, (1983).
136  
137   \end{thebibliography}

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