-
1
-
-
0003651195
-
-
Prentice-Hall, Upper Saddle River, Richland, WA 99352-0999, USA
-
Steinfeld J.I., Francisco J.S., Hase W.L. Chemical kinetics and dynamics 1999, Prentice-Hall, Upper Saddle River, Richland, WA 99352-0999, USA.
-
(1999)
Chemical kinetics and dynamics
-
-
Steinfeld, J.I.1
Francisco, J.S.2
Hase, W.L.3
-
2
-
-
0003617193
-
-
McGraw-Hill, NJ
-
Glasstone S., Laidler K.J., Eyring H. The theory of rate processes; the kinetics of chemical reactions, viscosity, diffusion and electrochemical phenomena 1941, McGraw-Hill, NJ.
-
(1941)
The theory of rate processes; the kinetics of chemical reactions, viscosity, diffusion and electrochemical phenomena
-
-
Glasstone, S.1
Laidler, K.J.2
Eyring, H.3
-
5
-
-
0000036541
-
-
Wiley, New York, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Garrett B.C., Truhlar D.G. Encyclopedia of computational chemistry 1998, 3094-3104. Wiley, New York. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 3094-3104
-
-
Garrett, B.C.1
Truhlar, D.G.2
-
7
-
-
0000555349
-
-
Wiley, Chichester, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Kraka E. Encyclopedia of computational chemistry 1998, 2437-2463. Wiley, Chichester. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 2437-2463
-
-
Kraka, E.1
-
8
-
-
0000355296
-
-
World Scientific, Chichester, D.R. Yarkony (Ed.)
-
Pulay P. Modern electronic structure theory 1995, 1191. World Scientific, Chichester. D.R. Yarkony (Ed.).
-
(1995)
Modern electronic structure theory
, pp. 1191
-
-
Pulay, P.1
-
9
-
-
0000036824
-
-
Wiley, Singapore, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Schlegel H.B. Encyclopedia of computational chemistry 1998, 1136-1142. Wiley, Singapore. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 1136-1142
-
-
Schlegel, H.B.1
-
10
-
-
0002203628
-
-
Wiley, Chichester, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Schlegel H.B. Encyclopedia of computational chemistry 1998, 2432-2437. Wiley, Chichester. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 2432-2437
-
-
Schlegel, H.B.1
-
12
-
-
0012183826
-
-
Wiley, Dordrecht, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Jensen F. Encyclopedia of computational chemistry 1998, 3114-3123. Wiley, Dordrecht. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 3114-3123
-
-
Jensen, F.1
-
24
-
-
0013484417
-
-
VCH, Berlin, K.B. Lipkowitz, D.B. Boyd (Eds.)
-
McKee M.L., Page M. Reviews in computational chemistry 1993, 35-65. VCH, Berlin. K.B. Lipkowitz, D.B. Boyd (Eds.).
-
(1993)
Reviews in computational chemistry
, pp. 35-65
-
-
McKee, M.L.1
Page, M.2
-
25
-
-
0042797442
-
-
Cambridge University Press, New York, NY
-
Wales D.J. Energy landscapes 2003, Cambridge University Press, New York, NY.
-
(2003)
Energy landscapes
-
-
Wales, D.J.1
-
30
-
-
0242289628
-
-
Li X.S., Millam J.M., Scuseria G.E., Frisch M.J., Schlegel H.B. J. Chem. Phys. 2003, 119:7651-7658.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 7651-7658
-
-
Li, X.S.1
Millam, J.M.2
Scuseria, G.E.3
Frisch, M.J.4
Schlegel, H.B.5
-
36
-
-
0037961619
-
-
Shao Y., Saravanan C., Head-Gordon M., White C.A. J. Chem. Phys. 2003, 118:6144-6151.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 6144-6151
-
-
Shao, Y.1
Saravanan, C.2
Head-Gordon, M.3
White, C.A.4
-
39
-
-
84931507903
-
-
Pulay P. Mol. Phys. 1969, 17:197-204.
-
(1969)
Mol. Phys.
, vol.17
, pp. 197-204
-
-
Pulay, P.1
-
41
-
-
84987100611
-
-
Pople J.A., Krishnan R., Schlegel H.B., Binkley J.S. Int. J. Quantum Chem. Quantum Chem. Symp. 1979, 13:225-241.
-
(1979)
Int. J. Quantum Chem. Quantum Chem. Symp.
, vol.13
, pp. 225-241
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
43
-
-
0011092615
-
-
Maslen P.E., Jayatilaka D., Colwell S.M., Amos R.D., Handy N.C. J. Chem. Phys. 1991, 95:7409-7417.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 7409-7417
-
-
Maslen, P.E.1
Jayatilaka, D.2
Colwell, S.M.3
Amos, R.D.4
Handy, N.C.5
-
44
-
-
84987138392
-
-
Colwell S.M., Jayatilaka D., Maslen P.E., Amos R.D., Handy N.C. Int. J. Quantum Chem. 1991, 40:179-199.
-
(1991)
Int. J. Quantum Chem.
, vol.40
, pp. 179-199
-
-
Colwell, S.M.1
Jayatilaka, D.2
Maslen, P.E.3
Amos, R.D.4
Handy, N.C.5
-
45
-
-
0009965936
-
-
Gaw J.F., Yamaguchi Y., Schaefer H.F., Handy N.C. J. Chem. Phys. 1986, 85:5132-5142.
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 5132-5142
-
-
Gaw, J.F.1
Yamaguchi, Y.2
Schaefer, H.F.3
Handy, N.C.4
-
48
-
-
15944395860
-
-
Pulay P., Fogarasi G., Pang F., Boggs J.E. J. Am. Chem. Soc. 1979, 101:2550.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 2550
-
-
Pulay, P.1
Fogarasi, G.2
Pang, F.3
Boggs, J.E.4
-
50
-
-
0000339640
-
-
Fogarasi G., Zhou X.F., Taylor P.W., Pulay P. J. Am. Chem. Soc. 1992, 114:8191-8201.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8191-8201
-
-
Fogarasi, G.1
Zhou, X.F.2
Taylor, P.W.3
Pulay, P.4
-
52
-
-
2442481958
-
-
Peng C.Y., Ayala P.Y., Schlegel H.B., Frisch M.J. J. Comput. Chem. 1996, 17:49-56.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 49-56
-
-
Peng, C.Y.1
Ayala, P.Y.2
Schlegel, H.B.3
Frisch, M.J.4
-
56
-
-
0034299340
-
-
Nemeth K., Coulaud O., Monard G., Angyan J.G. J. Chem. Phys. 2000, 113:5598-5603.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 5598-5603
-
-
Nemeth, K.1
Coulaud, O.2
Monard, G.3
Angyan, J.G.4
-
60
-
-
0034295238
-
-
Paizs B., Baker J., Suhai S., Pulay P. J. Chem. Phys. 2000, 113:6566-6572.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 6566-6572
-
-
Paizs, B.1
Baker, J.2
Suhai, S.3
Pulay, P.4
-
61
-
-
0035827198
-
-
Nemeth K., Coulaud O., Monard G., Angyan J.G. J. Chem. Phys. 2001, 114:9747-9753.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 9747-9753
-
-
Nemeth, K.1
Coulaud, O.2
Monard, G.3
Angyan, J.G.4
-
64
-
-
0036106832
-
-
Prat-Resina X., Garcia-Viloca M., Monard G., Gonzalez-Lafont A., Lluch J.M., Bofill J.M., Anglada J.M. Theor. Chem. Acc. 2002, 107:147-153.
-
(2002)
Theor. Chem. Acc.
, vol.107
, pp. 147-153
-
-
Prat-Resina, X.1
Garcia-Viloca, M.2
Monard, G.3
Gonzalez-Lafont, A.4
Lluch, J.M.5
Bofill, J.M.6
Anglada, J.M.7
-
66
-
-
2542517635
-
-
Adenine Press, Chichester, D.L. Beveridge, R. Lavery (Eds.)
-
Schlick T., Hingerty B.E., Peskin C.S., Overton M.L., Broyde S. Theoretical biochemistry and molecular biophysics 1991, 39-58. Adenine Press, Chichester. D.L. Beveridge, R. Lavery (Eds.).
-
(1991)
Theoretical biochemistry and molecular biophysics
, pp. 39-58
-
-
Schlick, T.1
Hingerty, B.E.2
Peskin, C.S.3
Overton, M.L.4
Broyde, S.5
-
67
-
-
84986483801
-
-
Derreumaux P., Zhang G.H., Schlick T., Brooks B. J. Comput. Chem. 1994, 15:532-552.
-
(1994)
J. Comput. Chem.
, vol.15
, pp. 532-552
-
-
Derreumaux, P.1
Zhang, G.H.2
Schlick, T.3
Brooks, B.4
-
83
-
-
33845540187
-
-
Culot P., Dive G., Nguyen V.H., Ghuysen J.M. Theor. Chim. Acta 1992, 82:189-205.
-
(1992)
Theor. Chim. Acta
, vol.82
, pp. 189-205
-
-
Culot, P.1
Dive, G.2
Nguyen, V.H.3
Ghuysen, J.M.4
-
84
-
-
0039047376
-
-
Banerjee A., Adams N., Simons J., Shepard R. J. Phys. Chem. 1985, 89:52-57.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 52-57
-
-
Banerjee, A.1
Adams, N.2
Simons, J.3
Shepard, R.4
-
89
-
-
0033438191
-
-
Anglada J.M., Besalu E., Bofill J.M., Rubio J. J. Math. Chem. 1999, 25:85-92.
-
(1999)
J. Math. Chem.
, vol.25
, pp. 85-92
-
-
Anglada, J.M.1
Besalu, E.2
Bofill, J.M.3
Rubio, J.4
-
97
-
-
0000293506
-
-
Wiley, Dordrecht, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Gao J. Encyclopedia of computational chemistry 1998, 1257-1263. Wiley, Dordrecht. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 1257-1263
-
-
Gao, J.1
-
98
-
-
84962367344
-
-
VCH, Chichester, K.B. Lipkowitz, D.B. Boyd (Eds.)
-
Gao J. Reviews in computational chemistry 1996, 119-185. VCH, Chichester. K.B. Lipkowitz, D.B. Boyd (Eds.).
-
(1996)
Reviews in computational chemistry
, pp. 119-185
-
-
Gao, J.1
-
99
-
-
0001579763
-
-
Wiley, New York, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Froese R.D.J., Morokuma K. Encyclopedia of computational chemistry 1998, 1244-1257. Wiley, New York. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 1244-1257
-
-
Froese, R.D.J.1
Morokuma, K.2
-
100
-
-
0000974271
-
-
Wiley, Chichester, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Merz K.M., Stanton R.V. Encyclopedia of computational chemistry 1998, 2330-2343. Wiley, Chichester. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 2330-2343
-
-
Merz, K.M.1
Stanton, R.V.2
-
101
-
-
0001369896
-
-
Wiley, Chichester, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Tomasi J., Pomelli C.S. Encyclopedia of computational chemistry 1998, 2343-2350. Wiley, Chichester. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 2343-2350
-
-
Tomasi, J.1
Pomelli, C.S.2
-
102
-
-
0001135663
-
-
Wiley, Chichester, P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.)
-
Ruiz-López M.F., Rivail J.L. Encyclopedia of computational chemistry 1998, 437-448. Wiley, Chichester. P. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer, P.R. Schreiner (Eds.).
-
(1998)
Encyclopedia of computational chemistry
, pp. 437-448
-
-
Ruiz-López, M.F.1
Rivail, J.L.2
-
108
-
-
31144441067
-
-
Svensson M., Humbel S., Froese R.D.J., Matsubara T., Sieber S., Morokuma K. J. Phys. Chem. 1996, 100:19357-19363.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 19357-19363
-
-
Svensson, M.1
Humbel, S.2
Froese, R.D.J.3
Matsubara, T.4
Sieber, S.5
Morokuma, K.6
-
109
-
-
84962383337
-
-
Vreven T., Mennucci B., da Silva C.O., Morokuma K., Tomasi J. J. Chem. Phys. 2001, 115:62-72.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 62-72
-
-
Vreven, T.1
Mennucci, B.2
da Silva, C.O.3
Morokuma, K.4
Tomasi, J.5
-
110
-
-
0033515394
-
-
Dapprich S., Komaromi I., Byun K.S., Morokuma K., Frisch M.J. J. Mol. Struct. (THEOCHEM) 1999, 462:1-21.
-
(1999)
J. Mol. Struct. (THEOCHEM)
, vol.462
, pp. 1-21
-
-
Dapprich, S.1
Komaromi, I.2
Byun, K.S.3
Morokuma, K.4
Frisch, M.J.5
-
112
-
-
0037473497
-
-
Vreven T., Morokuma K., Farkas O., Schlegel H.B., Frisch M.J. J. Comp. Chem. 2003, 24:760-769.
-
(2003)
J. Comp. Chem.
, vol.24
, pp. 760-769
-
-
Vreven, T.1
Morokuma, K.2
Farkas, O.3
Schlegel, H.B.4
Frisch, M.J.5
-
124
-
-
84885115992
-
-
GAUSSIAN 03. Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez and J.A. Pople, GAUSSIAN 03. Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Vreven, T.7
Kudin, K.N.8
Burant, J.C.9
Millam, J.M.10
Iyengar, S.S.11
Tomasi, J.12
Barone, V.13
Mennucci, B.14
Cossi, M.15
Scalmani, G.16
Rega, N.17
Petersson, G.A.18
Nakatsuji, H.19
Hada, M.20
Ehara, M.21
Toyota, K.22
Fukuda, R.23
Hasegawa, J.24
Ishida, M.25
Nakajima, T.26
Honda, Y.27
Kitao, O.28
Nakai, H.29
Klene, M.30
Li, X.31
Knox, J.E.32
Hratchian, H.P.33
Cross, J.B.34
Adamo, C.35
Jaramillo, J.36
Gomperts, R.37
Stratmann, R.E.38
Yazyev, O.39
Austin, A.J.40
Cammi, R.41
Pomelli, C.42
Ochterski, C.43
Ayala, P.Y.44
Morokuma, K.45
Voth, G.A.46
Salvador, P.47
Dannenberg, J.J.48
Zakrzewski, V.G.49
Dapprich, S.50
Daniels, A.D.51
Strain, M.C.52
Farkas, O.53
Malick, D.K.54
Rabuck, A.D.55
Raghavachari, K.56
Foresman, J.B.57
Ortiz, J.V.58
Cui, Q.59
Baboul, A.G.60
Clifford, S.61
Cioslowski, J.62
Stefanov, B.B.63
Liu, G.64
Liashenko, A.65
Piskorz, P.66
Komaromi, I.67
Martin, R.L.68
Fox, D.J.69
Keith, T.70
Al-Laham, M.A.71
Peng, C.Y.72
Nanayakkara, A.73
Challacombe, M.74
Gill, P.M.W.75
Johnson, B.76
Chen, W.77
Wong, M.W.78
Gonzalez, C.79
Pople, J.A.80
more..
-
131
-
-
4243124919
-
-
Simons J., Jorgensen P., Taylor H., Ozment J. J. Phys. Chem. 1983, 87:2745-2753.
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 2745-2753
-
-
Simons, J.1
Jorgensen, P.2
Taylor, H.3
Ozment, J.4
-
135
-
-
36549100828
-
-
Nichols J., Taylor H., Schmidt P., Simons J. J. Chem. Phys. 1990, 92:340-346.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 340-346
-
-
Nichols, J.1
Taylor, H.2
Schmidt, P.3
Simons, J.4
-
149
-
-
0001516390
-
-
Anglada J.M., Besalu E., Bofill J.M., Crehuet R. J. Comput. Chem. 1999, 20:1112-1129.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 1112-1129
-
-
Anglada, J.M.1
Besalu, E.2
Bofill, J.M.3
Crehuet, R.4
-
157
-
-
0001407648
-
-
Quapp W., Hirsch M., Imig O., Heidrich D. J. Comput. Chem. 1998, 19:1087-1100.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 1087-1100
-
-
Quapp, W.1
Hirsch, M.2
Imig, O.3
Heidrich, D.4
-
166
-
-
2442486484
-
-
Peters B., Heyden A., Bell A.T., Chakraborty A. J. Chem. Phys. 2004, 120:7877-7886.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 7877-7886
-
-
Peters, B.1
Heyden, A.2
Bell, A.T.3
Chakraborty, A.4
-
178
-
-
0000220710
-
-
World Scientific, Chichester, B.J. Berne, G. Cicotti, D.F. Coker (Eds.)
-
Jónsson H., Mills G., Jacobsen W. Classical and quantum dynamics in condensed phase simulations 1998, 385. World Scientific, Chichester. B.J. Berne, G. Cicotti, D.F. Coker (Eds.).
-
(1998)
Classical and quantum dynamics in condensed phase simulations
, pp. 385
-
-
Jónsson, H.1
Mills, G.2
Jacobsen, W.3
-
179
-
-
0037044123
-
-
Maragakis P., Andreev S.A., Brumer Y., Reichman D.R., Kaxiras E. J. Chem. Phys. 2002, 117:4651-4658.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 4651-4658
-
-
Maragakis, P.1
Andreev, S.A.2
Brumer, Y.3
Reichman, D.R.4
Kaxiras, E.5
-
180
-
-
0037145606
-
-
Wales D.J. Mol. Phys. 2002, 100:3285-3305.
-
(2002)
Mol. Phys.
, vol.100
, pp. 3285-3305
-
-
Wales, D.J.1
-
183
-
-
0038056330
-
-
Woodcock H.L., Hodoscek M., Sherwood P., Lee Y.S., Schaefer H.F., Brooks B.R. Theor. Chem. Acc. 2003, 109:140-148.
-
(2003)
Theor. Chem. Acc.
, vol.109
, pp. 140-148
-
-
Woodcock, H.L.1
Hodoscek, M.2
Sherwood, P.3
Lee, Y.S.4
Schaefer, H.F.5
Brooks, B.R.6
-
201
-
-
0000729781
-
-
Dellago C., Bolhuis P.G., Csajka F.S., Chandler D. J. Chem. Phys. 1998, 108:1964-1977.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 1964-1977
-
-
Dellago, C.1
Bolhuis, P.G.2
Csajka, F.S.3
Chandler, D.4
-
203
-
-
0037085922
-
-
Rosso L., Minary P., Zhu Z.W., Tuckerman M.E. J. Chem. Phys. 2002, 116:4389-4402.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 4389-4402
-
-
Rosso, L.1
Minary, P.2
Zhu, Z.W.3
Tuckerman, M.E.4
-
206
-
-
4243125018
-
-
Baldridge K.K., Gordon M.S., Steckler R., Truhlar D.G. J. Phys. Chem. 1989, 93:5107-5119.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 5107-5119
-
-
Baldridge, K.K.1
Gordon, M.S.2
Steckler, R.3
Truhlar, D.G.4
-
207
-
-
0346496800
-
-
Garrett B.C., Redmon M.J., Steckler R., Truhlar D.G., Baldridge K.K., Bartol D., Schidt M.W., Gordon M.S. J. Phys. Chem. 1988, 92:1476-1488.
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 1476-1488
-
-
Garrett, B.C.1
Redmon, M.J.2
Steckler, R.3
Truhlar, D.G.4
Baldridge, K.K.5
Bartol, D.6
Schidt, M.W.7
Gordon, M.S.8
-
222
-
-
0000884580
-
-
Millam J.M., Bakken V., Chen W., Hase W.L., Schlegel H.B. J. Chem. Phys. 1999, 111:3800-3805.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 3800-3805
-
-
Millam, J.M.1
Bakken, V.2
Chen, W.3
Hase, W.L.4
Schlegel, H.B.5
-
237
-
-
0035835073
-
-
Bakken V., Danovich D., Shaik S., Schlegel H.B. J. Am. Chem. Soc. 2001, 123:130-134.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 130-134
-
-
Bakken, V.1
Danovich, D.2
Shaik, S.3
Schlegel, H.B.4
-
240
-
-
0345381856
-
-
Lasorne B., Dive G., Lauvergnat D., Desouter-Lecomte M. J. Chem. Phys. 2003, 118:5831-5840.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 5831-5840
-
-
Lasorne, B.1
Dive, G.2
Lauvergnat, D.3
Desouter-Lecomte, M.4
-
241
-
-
0038003008
-
-
Peters B., Liang W.Z., Bell A.T., Chakraborty A. J. Chem. Phys. 2003, 118:9533-9541.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 9533-9541
-
-
Peters, B.1
Liang, W.Z.2
Bell, A.T.3
Chakraborty, A.4
-
253
-
-
84885164354
-
-
GAUSSIAN 03. Gaussian, Inc., Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez and J.A. Pople, GAUSSIAN 03. Gaussian, Inc., Pittsburgh, PA, 2003.
-
(2003)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Vreven, T.7
Kudin, K.N.8
Burant, J.C.9
Millam, J.M.10
Iyengar, S.S.11
Tomasi, J.12
Barone, V.13
Mennucci, B.14
Cossi, M.15
Scalmani, G.16
Rega, N.17
Petersson, G.A.18
Nakatsuji, H.19
Hada, M.20
Ehara, M.21
Toyota, K.22
Fukuda, R.23
Hasegawa, J.24
Ishida, M.25
Nakajima, T.26
Honda, Y.27
Kitao, O.28
Nakai, H.29
Klene, M.30
Li, X.31
Knox, J.E.32
Hratchian, H.P.33
Cross, J.B.34
Adamo, C.35
Jaramillo, J.36
Gomperts, R.37
Stratmann, R.E.38
Yazyev, O.39
Austin, A.J.40
Cammi, R.41
Pomelli, C.42
Ochterski, J.W.43
Ayala, P.Y.44
Morokuma, K.45
Voth, G.A.46
Salvador, P.47
Dannenberg, J.J.48
Zakrzewski, V.G.49
Dapprich, S.50
Daniels, A.D.51
Strain, M.C.52
Farkas, O.53
Malick, D.K.54
Rabuck, A.D.55
Raghavachari, K.56
Foresman, J.B.57
Ortiz, J.V.58
Cui, Q.59
Baboul, A.G.60
Clifford, S.61
Cioslowski, J.62
Stefanov, B.B.63
Liu, G.64
Liashenko, A.65
Piskorz, P.66
Komaromi, I.67
Martin, R.L.68
Fox, D.J.69
Keith, T.70
Al-Laham, M.A.71
Peng, C.Y.72
Nanayakkara, A.73
Challacombe, M.74
Gill, P.M.W.75
Johnson, B.76
Chen, W.77
Wong, M.W.78
Gonzalez, C.79
Pople, J.A.80
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