-
1
-
-
5744249209
-
-
Metropolis, N.; Rosenbluth, A.W.; Rosenbluth, M.N.; Teller, A.H.; Teller, E.J. J. Chem. Phys. 1953, 21, 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.J.5
-
2
-
-
84952498828
-
-
Rao, M.; Pangali, C.; Berne, B.J. Mol. Phys. 1979, 37, 1773.
-
(1979)
Mol. Phys.
, vol.37
, pp. 1773
-
-
Rao, M.1
Pangali, C.2
Berne, B.J.3
-
4
-
-
0011390532
-
-
Alagona, G.; Ghio, C.; Kollman, P. J. Am. Chem. Soc. 1985, 107, 2229-2239.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 2229-2239
-
-
Alagona, G.1
Ghio, C.2
Kollman, P.3
-
5
-
-
0032511418
-
-
Florian, J.; Strajbl, M.; Warshel, A. J. Am. Chem. Soc. 1998, 120, 7959-7966.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 7959-7966
-
-
Florian, J.1
Strajbl, M.2
Warshel, A.3
-
6
-
-
84988091754
-
-
Jayaram, B.; Mezei, M.; Beveridge, D.L. J. Comput. Chem 1987, 8, 917-942.
-
(1987)
J. Comput. Chem
, vol.8
, pp. 917-942
-
-
Jayaram, B.1
Mezei, M.2
Beveridge, D.L.3
-
7
-
-
33845280597
-
-
Jayaram, B.; Mezei, M.; Beveridge, D.L. J. Am. Chem. Soc. 1988, 110, 1691-1694.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 1691-1694
-
-
Jayaram, B.1
Mezei, M.2
Beveridge, D.L.3
-
8
-
-
0000385743
-
-
Jayaram, B.; Ravishaker, G.; Beveridge, D.L. J. Phys. Chem. 1988, 92, 1032-1034.
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 1032-1034
-
-
Jayaram, B.1
Ravishaker, G.2
Beveridge, D.L.3
-
10
-
-
0001644266
-
-
Liang, C.X.; Ewig, C.S.; Stouch, T.R.; Hagler, A.T. J. Am. Chem. Soc. 1993, 115, 1537-1545.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 1537-1545
-
-
Liang, C.X.1
Ewig, C.S.2
Stouch, T.R.3
Hagler, A.T.4
-
15
-
-
0000426945
-
-
Alber, F.; Folkers, G.; Carloni, P. J. Phys. Chem. B 1999, 103, 6121-6126.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 6121-6126
-
-
Alber, F.1
Folkers, G.2
Carloni, P.3
-
16
-
-
0033595834
-
-
Alber, F.; Folkers, G.; Carloni, P. Theochem J. Mol. Struct. 1999, 489, 237-245.
-
(1999)
Theochem J. Mol. Struct.
, vol.489
, pp. 237-245
-
-
Alber, F.1
Folkers, G.2
Carloni, P.3
-
19
-
-
0000026966
-
-
Martyna, G.J.; Tuckerman, M.E.; Tobias, D.J.; Klein, M.L. Mol. Phys. 1996, 87, 1117-1157.
-
(1996)
Mol. Phys.
, vol.87
, pp. 1117-1157
-
-
Martyna, G.J.1
Tuckerman, M.E.2
Tobias, D.J.3
Klein, M.L.4
-
20
-
-
6344260593
-
-
Mackerell, A.D.; Wiorkiewicz-Kuczera, J.; Karplus, M. J. Am. Chem. Soc. 1995, 117, 11 946-11 975.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11946-11975
-
-
Mackerell, A.D.1
Wiorkiewicz-Kuczera, J.2
Karplus, M.3
-
21
-
-
0004016501
-
-
Jorgensen, W.L.; Chandrasekhar, J.; Madura, J.; Impey, R.W.; Klein, M.L. J. Chem. Phys. 1983, 79, 926-935.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.3
Impey, R.W.4
Klein, M.L.5
-
22
-
-
33645961739
-
-
Essmann, U.; Perera, L.; Berkowitz, M.L.; Darden, T.; Pedersen, L.G. J. Chem. Phys. 1995, 103, 8577-8593.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Pedersen, L.G.5
-
23
-
-
0034625286
-
-
Tuckerman, M.E.; Yarne, D.A.; Samuelson, S.O.; Hughes, A.L.; Martyna, G.J. Comput. Phys. Comm. 2000, 128, 333-376.
-
(2000)
Comput. Phys. Comm.
, vol.128
, pp. 333-376
-
-
Tuckerman, M.E.1
Yarne, D.A.2
Samuelson, S.O.3
Hughes, A.L.4
Martyna, G.J.5
-
24
-
-
0004133266
-
-
MPI fur Festkorperforschung and IBM Zurich Research Laboratory
-
CPMD, 3.3a ed.; Hutter, J., Alavi, A., Deutsch, T., Bernasconi, M., Goedecker, S., Marx, D., Tuckerman, M., Parrinello, M., Eds.; MPI fur Festkorperforschung and IBM Zurich Research Laboratory: 1995-1999.
-
CPMD, 3.3a ed.
, pp. 1995-1999
-
-
Hutter, J.1
Alavi, A.2
Deutsch, T.3
Bernasconi, M.4
Goedecker, S.5
Marx, D.6
Tuckerman, M.7
Parrinello, M.8
-
28
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R.G. Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
29
-
-
0001723472
-
-
Sprik, M.; Hurter, J.; Parrinello, M. J. Chem. Phys. 1996, 105, 1142-1152.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1142-1152
-
-
Sprik, M.1
Hurter, J.2
Parrinello, M.3
-
31
-
-
0000083717
-
-
Hartwigsen, C.; Goedecker, S.; Hutter, J. Phys. Rev. B 1998, 58, 3641-3662.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 3641-3662
-
-
Hartwigsen, C.1
Goedecker, S.2
Hutter, J.3
-
33
-
-
0032066447
-
-
Silvestrelli, P.L.; Marzari, N.; Vanderbilt, D.; Parrinello, M. Solid State Comm. 1998, 107, 7-11.
-
(1998)
Solid State Comm.
, vol.107
, pp. 7-11
-
-
Silvestrelli, P.L.1
Marzari, N.2
Vanderbilt, D.3
Parrinello, M.4
-
37
-
-
0001587957
-
-
Berghold, G.; Mundy, C.J.; Romero, A.H.; Hutter, J.; Parrinello, M. Phys. Rev. B 2000, 61, 10 040-10 048.
-
(2000)
Phys. Rev. B
, vol.61
, pp. 10040-10048
-
-
Berghold, G.1
Mundy, C.J.2
Romero, A.H.3
Hutter, J.4
Parrinello, M.5
-
38
-
-
0000386578
-
-
Shelley, J.C.; Sprik, M.; Klein, M.L. Langmuir 1993, 9, 916-926.
-
(1993)
Langmuir
, vol.9
, pp. 916-926
-
-
Shelley, J.C.1
Sprik, M.2
Klein, M.L.3
-
39
-
-
0030031374
-
-
Tu, K.; Tobias, D.J.; Blasie, J.K.; Klein, M.L. Biophys. J. 1996, 70, 595-608.
-
(1996)
Biophys. J.
, vol.70
, pp. 595-608
-
-
Tu, K.1
Tobias, D.J.2
Blasie, J.K.3
Klein, M.L.4
-
40
-
-
0034269312
-
-
White, J.A.; Schwegler, E.; Galli, G.; Gygi, F. J. Chem. Phys. 2000, 113, 4668-4673.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 4668-4673
-
-
White, J.A.1
Schwegler, E.2
Galli, G.3
Gygi, F.4
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