-
3
-
-
0003653899
-
-
Longman, Singapore
-
A.R. Leach, Molecular Modelling, Principles and Applications, Longman, Singapore, 1996, pp. 182-187.
-
(1996)
Molecular Modelling, Principles and Applications
, pp. 182-187
-
-
Leach, A.R.1
-
4
-
-
0033424652
-
-
K.B. Lipkowitz, D.B. Boyd (Eds.), Wiley, New York
-
A. Wallqvist, R.D. Mountain, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry, vol. 13, Wiley, New York, 1999, pp. 183-247.
-
(1999)
Reviews in Computational Chemistry
, vol.13
, pp. 183-247
-
-
Wallqvist, A.1
Mountain, R.D.2
-
6
-
-
36549090996
-
-
J.J. de Pablo, J.M. Prausnitz, H.J. Strauch, P.T. Cummings, J. Chem. Phys. 93 (1990) 7355.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 7355
-
-
De Pablo, J.J.1
Prausnitz, J.M.2
Strauch, H.J.3
Cummings, P.T.4
-
18
-
-
36849096816
-
-
S.A. Clough, Y. Beers, G.P. Klein, L.S. Rothman, J. Chem. Phys. 59 (1973) 2254.
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 2254
-
-
Clough, S.A.1
Beers, Y.2
Klein, G.P.3
Rothman, L.S.4
-
20
-
-
0004016501
-
-
W.L. Joregensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, M.L. Klein, J. Chem. Phys. 79 (1983) 926.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Joregensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
21
-
-
0031028733
-
-
J.K. Gregory, D.C. Clary, K. Liu, M.G. Brown, R.J. Saykally, Science 275 (1997) 814.
-
(1997)
Science
, vol.275
, pp. 814
-
-
Gregory, J.K.1
Clary, D.C.2
Liu, K.3
Brown, M.G.4
Saykally, R.J.5
-
34
-
-
33751553825
-
-
U. Niesar, G. Corongiu, E. Clementi, G.R. Kneller, D.K. Bhattachary, J. Phys. Chem. 94 (1990) 7949.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 7949
-
-
Niesar, U.1
Corongiu, G.2
Clementi, E.3
Kneller, G.R.4
Bhattachary, D.K.5
-
39
-
-
0001692893
-
-
S.-B. Zhu, S. Yao, J.-B. Zhu, S. Singh, G.W. Robinson, J. Phys. Chem. 95 (1991) 6211.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 6211
-
-
Zhu, S.-B.1
Yao, S.2
Zhu, J.-B.3
Singh, S.4
Robinson, G.W.5
-
44
-
-
19644389243
-
-
T.B. Blank, S.D. Brown, A.W. Calhoun, D.J. Doren, J. Chem. Phys. 103 (1995) 4129.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4129
-
-
Blank, T.B.1
Brown, S.D.2
Calhoun, A.W.3
Doren, D.J.4
-
47
-
-
0031555986
-
-
K.T. No, B.H. Chang, S.Y. Kim, M.S. Jhon, H.A. Scheraga, Chem. Phys. Lett. 271 (1997) 152.
-
(1997)
Chem. Phys. Lett.
, vol.271
, pp. 152
-
-
No, K.T.1
Chang, B.H.2
Kim, S.Y.3
Jhon, M.S.4
Scheraga, H.A.5
-
49
-
-
0000705154
-
-
J.L. Banks, G.A. Kaminski, R. Zhou, D.T. Mainz, B.J. Berne, R.A. Friesner, J. Chem. Phys. 110 (1999) 741.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 741
-
-
Banks, J.L.1
Kaminski, G.A.2
Zhou, R.3
Mainz, D.T.4
Berne, B.J.5
Friesner, R.A.6
-
53
-
-
5744249209
-
-
N. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, A.H. Teller, E. Teller, J. Chem. Phys. 21 (1953) 1087.
-
(1953)
J. Chem. Phys.
, vol.21
, pp. 1087
-
-
Metropolis, N.1
Rosenbluth, A.W.2
Rosenbluth, M.N.3
Teller, A.H.4
Teller, E.5
-
55
-
-
84870726202
-
-
Academic Press, New York
-
D. Frenkel, B. Smit, Understanding Molecular Simulation, From Algorithms to Applications, Academic Press, New York, 1996.
-
(1996)
Understanding Molecular Simulation, From Algorithms to Applications
-
-
Frenkel, D.1
Smit, B.2
-
57
-
-
0347638362
-
-
K.S. Kim, B.J. Mhin, U.-S. Choi, K. Lee, J. Chem. Phys. 97 (1992) 6649.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 6649
-
-
Kim, K.S.1
Mhin, B.J.2
Choi, U.-S.3
Lee, K.4
-
61
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94, Revision D.2, Gaussian, Inc., Pittsburgh PA, 1995.
-
(1995)
GAUSSIAN 94, Revision D.2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
66
-
-
0000286108
-
-
P.v.R. Schleyer (Ed.), Wiley, New York
-
W.L. Jorgensen, in: P.v.R. Schleyer (Ed.), Monte Carlo Simulations of Liquids, The Encyclopedia of Computational Chemistry, vol. 3, Wiley, New York, 1998, pp. 1754-1763.
-
(1998)
Monte Carlo Simulations of Liquids, The Encyclopedia of Computational Chemistry
, vol.3
, pp. 1754-1763
-
-
Jorgensen, W.L.1
-
67
-
-
0000078250
-
-
K.B. Lipkowitz, D.B. Boyd (Eds.), Wiley, New York
-
J.C. Shelley, D.R. Bérard, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry, vol. 12, Wiley, New York, 1998, pp. 137-205.
-
(1998)
Reviews in Computational Chemistry
, vol.12
, pp. 137-205
-
-
Shelley, J.C.1
Bérard, D.R.2
|