-
2
-
-
0000263976
-
-
D. Thompson, ed., World Scientific, Singapore
-
K. Bolton, W. Hase, and G. Peslherbe, in Modern methods for multi-dimensional dynamics computations in chemistry, D. Thompson, ed., World Scientific, Singapore, 1998, pp. 143-189.
-
(1998)
Modern Methods for Multi-Dimensional Dynamics Computations in chemistry
, pp. 143-189
-
-
Bolton, K.1
Hase, W.2
Peslherbe, G.3
-
3
-
-
0004023554
-
-
D. Heidrich, ed Kluwer Academic Publishers, Dordrecht
-
D. Truhlar, in The reaction path in chemistry, D. Heidrich, ed., Kluwer Academic Publishers, Dordrecht, 1995, pp. 229-255.
-
(1995)
The Reaction Path in Chemistry
, pp. 229-255
-
-
Truhlar, D.1
-
6
-
-
0030352943
-
-
F. Bernardi, M. Olivucci, and M. Robb, Chem. Soc. Rev., 25, 321 (1996).
-
(1996)
Chem. Soc. Rev.
, vol.25
, pp. 321
-
-
Bernardi, F.1
Olivucci, M.2
Robb, M.3
-
17
-
-
0001438439
-
-
R. E.Wyatt and J. Z. H. Zhang, eds Marcel Dekker, New York
-
R. Kosloff, in Dynamics of Molecules and Chemical Reactions, R. E.Wyatt and J. Z. H. Zhang, eds., Marcel Dekker, New York, 1996, pp. 185-230.
-
(1996)
Dynamics of Molecules and Chemical Reactions
, pp. 185-230
-
-
Kosloff, R.1
-
20
-
-
0033636381
-
-
M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000).
-
(2000)
Phys. Rep.
, vol.324
, pp. 1
-
-
Beck, M.H.1
Jäckle, A.2
Worth, G.A.3
Meyer, H.-D.4
-
26
-
-
0042776786
-
-
S. Sawada, R. Heather, B. Jackson, and H. Methiu, J. Chem. Phys. 83, 3009 (1985).
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 3009
-
-
Sawada, S.1
Heather, R.2
Jackson, B.3
Methiu, H.4
-
31
-
-
0002507440
-
-
D. Thompson, ed., World Scientific, Singapore
-
J. Tully, in Modern methods for multi-dimensional dynamics computations in chemistry, D. Thompson, ed., World Scientific, Singapore, 1998, pp. 34-72.
-
(1998)
Modern Methods for Multi-Dimensional Dynamics Computations in chemistry
, pp. 34-72
-
-
Tully, J.1
-
40
-
-
0002438497
-
-
D. Yarkony, ed., World Scientific, Singapore
-
K. Andersson and B. Roos, in Modern Electronic structure theory, D. Yarkony, ed., World Scientific, Singapore, 1995, pp. 55-109.
-
(1995)
Modern Electronic structure theory
, pp. 55-109
-
-
Andersson, K.1
Roos, B.2
-
42
-
-
0000814243
-
-
I. Ragazos, M. Robb, F. Bernardi, and M. Olivucci, Chem. Phys. Lett. 197, 217 (1992).
-
(1992)
Chem. Phys. Lett.
, vol.197
, pp. 217
-
-
Ragazos, I.1
Robb, M.2
Bernardi, F.3
Olivucci, M.4
-
49
-
-
26144444377
-
-
P. Celani, M. Robb, M. Garavelli, F. Bernardi, and M. Olivucci, Chem. Phys. Lett. 243, 1 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.243
, pp. 1
-
-
Celani, P.1
Robb, M.2
Garavelli, M.3
Bernardi, F.4
Olivucci, M.5
-
50
-
-
0031099001
-
-
M. Garavelli, P. Celani, M. Fato, M. Bearpark, B. Smith, M. Olivucci, and M. Robb, J. Phys. Chem. 101, 2023 (1997).
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 2023
-
-
Garavelli, M.1
Celani, P.2
Fato, M.3
Bearpark, M.4
Smith, B.5
Olivucci, M.6
Robb, M.7
-
51
-
-
0034376017
-
-
K. Lipkowitz and D. Boyd, eds., John Wiley & Sons, New York
-
M. Robb, M. Garavelli, M. Olivucci, and F. Bernardi, in Reviews in Computational Chemistry, K. Lipkowitz and D. Boyd, eds., Vol. 15, John Wiley & Sons, New York, 2000, pp. 87-146.
-
(2000)
Reviews in Computational Chemistry
, vol.15
, pp. 87-146
-
-
Robb, M.1
Garavelli, M.2
Olivucci, M.3
Bernardi, F.4
-
52
-
-
0003588933
-
-
Wiley-VCH, New York
-
M. Olivucci, M. Robb, and F. Bernardi, in Conformational analysis of molecules in excited states, Wiley-VCH, New York, 2000, pp. 297-366.
-
(2000)
Conformational Analysis of Molecules in Excited States
, pp. 297-366
-
-
Olivucci, M.1
Robb, M.2
Bernardi, F.3
-
57
-
-
0035934124
-
-
A. Mebel, A. Yahalom, R. Englman, and M. Baer, J, Chem. Phys. 115, 3673 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 3673
-
-
Mebel, A.1
Yahalom, A.2
Englman, R.3
Baer, M.4
-
59
-
-
0003525155
-
-
John Wiley & Sons, Inc., New York, also Adv. Chem. Phys. LXXI
-
C. Brooks III, M. Karplus, and B. Pettitt, Proteins: A theoretical perspective of dynamics, structure, and thermodynamics, John Wiley & Sons, Inc., New York, 1988, also Adv. Chem. Phys. LXXI.
-
(1988)
Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermodynamics
-
-
Brooks III, C.1
Karplus, M.2
Pettitt, B.3
-
64
-
-
43949150223
-
-
M. Bearpark, M. Robb, F. Bernardi, and M. Olivucci, Chem. Phys. Lett. 217, 513 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.217
, pp. 513
-
-
Bearpark, M.1
Robb, M.2
Bernardi, F.3
Olivucci, M.4
-
70
-
-
3342947108
-
-
A. Selloni, P. Carnevali, R. Car, and M. Parinello, Phys. Rev. Lett. 59, 823 (1987).
-
(1987)
Phys. Rev. Lett.
, vol.59
, pp. 823
-
-
Selloni, A.1
Carnevali, P.2
Car, R.3
Parinello, M.4
-
71
-
-
0001311450
-
-
E. Fois, A. Selloni, M. Parinello, and R. Car, J. Phys. Chem. 92, 3268 (1988).
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 3268
-
-
Fois, E.1
Selloni, A.2
Parinello, M.3
Car, R.4
-
74
-
-
0000323669
-
-
J. Grotendorst, ed., John von Neumann Institute for Computing, Jülich, Germany. See
-
D. Marx and J. Hutter, in Modern Methods and Algorithms of Quantum Chemistry, J. Grotendorst, ed., John von Neumann Institute for Computing, Jülich, Germany, 2000, pp. 301-449. See http://www.fz-juelich.de/nic- series.
-
(2000)
Modern Methods and Algorithms of Quantum Chemistry
, pp. 301-449
-
-
Marx, D.1
Hutter, J.2
-
75
-
-
0035827207
-
-
H. Schlegel, J. Millam, S. Iyengar, G. Voth, A. Daniels, G. Scuseria, and M. Frisch, J. Chem. Phys. 114, 9758 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 9758
-
-
Schlegel, H.1
Millam, J.2
Iyengar, S.3
Voth, G.4
Daniels, A.5
Scuseria, G.6
Frisch, M.7
-
79
-
-
0002228893
-
-
B. Smith, M. Bearpark, M. Robb, F. Bernardi, and M. Olivucci, Chem. Phys. Lett. 242, 27 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.242
, pp. 27
-
-
Smith, B.1
Bearpark, M.2
Robb, M.3
Bernardi, F.4
Olivucci, M.5
-
80
-
-
0001234390
-
-
M. Bearpark, F. Bernardi, S. Clifford, M. Olivucci, M. Robb, B. Smith, and T. Vreven, J. Am. Chem. Soc. 118, 169 (1996).
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 169
-
-
Bearpark, M.1
Bernardi, F.2
Clifford, S.3
Olivucci, M.4
Robb, M.5
Smith, B.6
Vreven, T.7
-
81
-
-
0029982685
-
-
M. Bearpark, F. Bernardi, M. Olivucci, M. Robb, and B. Smith, J. Am. Chem. Soc. 118, 5254 (1996).
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 5254
-
-
Bearpark, M.1
Bernardi, F.2
Olivucci, M.3
Robb, M.4
Smith, B.5
-
82
-
-
0000214140
-
-
M. Deumal, M. Bearpark, B. Smith, M. Olivucci, F. Bernardi, and M. Robb, J. Org. Chem. 63, 4594 (1998).
-
(1998)
J. Org. Chem.
, vol.63
, pp. 4594
-
-
Deumal, M.1
Bearpark, M.2
Smith, B.3
Olivucci, M.4
Bernardi, F.5
Robb, M.6
-
83
-
-
0034647206
-
-
M. Garavelli, B. Smith, M. Bearpark, F. Bernardi, M. Olivucci, and M. Robb, J. Am. Chem. Soc. 122, 5568 (2000).
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 5568
-
-
Garavelli, M.1
Smith, B.2
Bearpark, M.3
Bernardi, F.4
Olivucci, M.5
Robb, M.6
-
84
-
-
0000708809
-
-
S. Klein, M. Bearpark, B. Smith, M. Robb, M. Olivucci, and F. Bernardi, Chem. Phys. Lett. 292, 259 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.292
, pp. 259
-
-
Klein, S.1
Bearpark, M.2
Smith, B.3
Robb, M.4
Olivucci, M.5
Bernardi, F.6
-
85
-
-
0034697644
-
-
F. Jolibois, M. Bearpark, S. Klein, M. Olivucci, and M. Robb, J. Am. Chem. Soc. 122, 5801 (2000).
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 5801
-
-
Jolibois, F.1
Bearpark, M.2
Klein, S.3
Olivucci, M.4
Robb, M.5
-
86
-
-
0001680760
-
-
T. Vreven, F. Bernardi, M. Garavelli, M. Olivucci, M. Robb, and H. Schlegel, J. Am. Chem. Soc. 119, 12687 (1997).
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 12687
-
-
Vreven, T.1
Bernardi, F.2
Garavelli, M.3
Olivucci, M.4
Robb, M.5
Schlegel, H.6
-
87
-
-
0034728567
-
-
A. Sanchez-Galvez, P. Hunt, M. Robb, M. Olivucci, T. Vreven, and H. Schlegel, J. Am. Chem. Soc. 122, 2911 (2000).
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 2911
-
-
Sanchez-Galvez, A.1
Hunt, P.2
Robb, M.3
Olivucci, M.4
Vreven, T.5
Schlegel, H.6
-
95
-
-
78751565043
-
-
GAUSSIAN 98, Gaussian, Inc., Pittsburgh PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wond, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, GAUSSIAN 98, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wond, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
96
-
-
84893169025
-
-
M. Schmidt, K. Baldridge, J. Boatz, S. Elbert, M. Gordon, J. Jensen, S. Koseki, N. Matsunaga, K. Nguyen, S. Su, T. Windus, M. Dupuis, and J. Montgomery, J. Comp. Chem. 14, 1347 (1993).
-
(1993)
J. Comp. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.1
Baldridge, K.2
Boatz, J.3
Elbert, S.4
Gordon, M.5
Jensen, J.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.9
Su, S.10
Windus, T.11
Dupuis, M.12
Montgomery, J.13
-
97
-
-
0003392598
-
-
Lund University, Sweden
-
K. Andersson, M. Blomberg, M. Fülscher, G. Karlström, R. Lindh, P.-Å. Malmqvist, P. Neogrády, J. Olsen, B. Roos, A. Sadlej, M. Schütz, L. Seijo, L. Serrano-Andrés, P. Siegbahn, and P.-O. Widmark, MOLCA. S, Version 4, Lund University, Sweden, 1997.
-
(1997)
MOLCA. S Version 4
-
-
Andersson, K.1
Blomberg, M.2
Fülscher, M.3
Karlström, G.4
Lindh, R.5
Malmqvist, P.-A.6
Neogrády, P.7
Olsen, J.8
Roos, B.9
Sadlej, A.10
Schütz, M.11
Seijo, L.12
Serrano-Andrés, L.13
Siegbahn, P.14
Widmark, P.-O.15
-
99
-
-
0001201877
-
-
H. Dachsel, R. Shepard, J. Nieplocha, and R. Harrison, J. Comp. Chem. 18, 430 (1997).
-
(1997)
J. Comp. Chem.
, vol.18
, pp. 430
-
-
Dachsel, H.1
Shepard, R.2
Nieplocha, J.3
Harrison, R.4
-
105
-
-
28144454931
-
-
C. Leforestier, R.H. Bisseling, C. Cerjan, M. D. Feit, R. Friesner,A. Guldenberg, A. Hammerich, G. Jolicard, W. Karrlein, H.-D. Meyer, N. Lipkin, O. Roncero, and R. Kosloff, J. Comp. Phys. 94, 59 (1991).
-
(1991)
J. Comp. Phys.
, vol.94
, pp. 59
-
-
Leforestier, C.1
Bisseling, R.H.2
Cerjan, C.3
Feit, M.D.4
Friesner, R.5
Guldenberg, A.6
Hammerich, A.7
Jolicard, G.8
Karrlein, W.9
Meyer, H.-D.10
Lipkin, N.11
Roncero, O.12
Kosloff, R.13
-
109
-
-
0001309352
-
-
A. Raab, G. Worth, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 110, 936 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 936
-
-
Raab, A.1
Worth, G.2
Meyer, H.-D.3
Cederbaum, L.S.4
-
111
-
-
0000733992
-
-
H. Buchenau, J. P. Toennies, J. Arnold, and J. Wolfrum, Ber. Bunsenges. Phys. Chem. 94, 1231 (1990).
-
(1990)
Ber. Bunsenges. Phys. Chem.
, vol.94
, pp. 1231
-
-
Buchenau, H.1
Toennies, J.P.2
Arnold, J.3
Wolfrum, J.4
-
118
-
-
34250718630
-
-
R. Schinke, M. Nonella, H. U. Suter, and J. R. Huber, J. Chem. Phys. 93, 1098 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 1098
-
-
Schinke, R.1
Nonella, M.2
Suter, H.U.3
Huber, J.R.4
-
125
-
-
0002886524
-
-
S. Wilson and G. Diercksen, eds Plenum Press, New York
-
T. Helgaker and P. Jrgensen, in Methods in computational molecular physics, S. Wilson and G. Diercksen, eds., Plenum Press, New York, 1992, pp. 353-421.
-
(1992)
Methods in computational molecular physics
, pp. 353-421
-
-
Helgaker, T.1
Jrgensen, P.2
-
126
-
-
0000347429
-
-
D. Yarkony, ed.World Scientific, Singapore
-
R. Shepard, in Modern Electronic structure theory, D. Yarkony, ed.World Scientific, Singapore, 1995, pp. 345-458.
-
(1995)
Modern Electronic structure theory
, pp. 345-458
-
-
Shepard, R.1
-
127
-
-
0000355296
-
-
D. Yarkony, ed., World Scientific, Singapore
-
P. Pulay, in Modern Electronic Structure Theory, D. Yarkony, ed., World Scientific, Singapore, 1995, pp. 1191-1240.
-
(1995)
Modern Electronic Structure Theory
, pp. 1191-1240
-
-
Pulay, P.1
-
130
-
-
0004699251
-
-
eds. P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner, eds., John Wiley & Sons, Inc., Chichester
-
T. Helgaker, in The Encyclopedia of Computational Chemistry, eds. P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner, eds., Vol. 2, John Wiley & Sons, Inc., Chichester, 1998, pp. 1157-1169.
-
(1998)
The Encyclopedia of Computational Chemistry
, vol.2
, pp. 1157-1169
-
-
Helgaker, T.1
-
140
-
-
0001614756
-
-
M. Hillery, R. O'Connell, M. Scully, and E. Wigner, Phys. Rep. 106, 122 (1984).
-
(1984)
Phys. Rep.
, vol.106
, pp. 122
-
-
Hillery, M.1
O'Connell, R.2
Scully, M.3
Wigner, E.4
-
147
-
-
0003930336
-
-
John Wiley & Sons, Inc., New York
-
A. Messiah, Quantum Mechanics, Vol. 1, John Wiley & Sons, Inc., New York, 1962.
-
(1962)
Quantum Mechanics
, vol.1
-
-
Messiah, A.1
-
169
-
-
0002481723
-
-
F. Brogli, E. Heilbronner, E.Kloster-Jensen, A. Schmelzer, A. S. Manocha, J. A. Pople, and L. Radom, Chem. Phys. 4, 107 (1974).
-
(1974)
Chem. Phys.
, vol.4
, pp. 107
-
-
Brogli, F.1
Heilbronner, E.2
Kloster-Jensen, E.3
Schmelzer, A.4
Manocha, A.S.5
Pople, J.A.6
Radom, L.7
-
170
-
-
0001485676
-
-
L. S. Cederbaum, W. Domcke, H. Köppel, and W. von Niessen, Chem. Phys. 26, 169 (1977).
-
(1977)
Chem. Phys.
, vol.26
, pp. 169
-
-
Cederbaum, L.S.1
Domcke, W.2
Köppel, H.3
Von Niessen, W.4
-
171
-
-
37049097087
-
-
I. Yamazaki, T. Murao, T. Yamanaka, and K. Yoshihara, Faraday Discuss. Chem. Soc. 75, 395 (1983).
-
(1983)
Faraday Discuss. Chem. Soc.
, vol.75
, pp. 395
-
-
Yamazaki, I.1
Murao, T.2
Yamanaka, T.3
Yoshihara, K.4
-
173
-
-
36449003335
-
-
C.Woywod,W. Domcke, A. L. Sobolewski, and H.-J.Werner, J. Chem. Phys. 100, 1400 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 1400
-
-
Woywod, C.1
Domcke, W.2
Sobolewski, A.L.3
Werner, H.-J.4
-
174
-
-
0001150566
-
-
G. Stock, C. Woywod, W. Domcke, T. Swinney, and B. S. Hudson, J. Chem. Phys. 103, 6851 (1995).
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 6851
-
-
Stock, G.1
Woywod, C.2
Domcke, W.3
Swinney, T.4
Hudson, B.S.5
-
185
-
-
36149041492
-
-
R. Cimirglia, J.-P. Malrieu, M. Persico, and F. Spiegelmann, J. Phys. B 18, 3073 (1985).
-
(1985)
J. Phys. B
, vol.18
, pp. 3073
-
-
Cimirglia, R.1
Malrieu, J.-P.2
Persico, M.3
Spiegelmann, F.4
-
190
-
-
0035425257
-
-
C. Cattarius, G. Worth, H.-D. Meyer, and L. Cederbaum, J. Chem. Phys. 115, 2088 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2088
-
-
Cattarius, C.1
Worth, G.2
Meyer, H.-D.3
Cederbaum, L.4
-
192
-
-
0035859411
-
-
S. Mahapatra, G. Worth, H.-D. Meyer, L. Cederbaum, and H. Köppel, J. Phys. Chem. A 105, 5567 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 5567
-
-
Mahapatra, S.1
Worth, G.2
Meyer, H.-D.3
Cederbaum, L.4
Köppel, H.5
-
198
-
-
0003895515
-
-
2nd ed., OUP, Oxford, UK
-
P. Atkins, Molecular Quantum Mechanics, 2nd ed., OUP, Oxford, UK, 1983.
-
(1983)
Molecular Quantum Mechanics
-
-
Atkins, P.1
-
204
-
-
0002627110
-
-
M. P. Allen and D. J. Tildesley, eds Kluwer Academic, Dordrecht
-
D. F. Coker, in Computer Simulation in Chemical Physics, M. P. Allen and D. J. Tildesley, eds., Kluwer Academic, Dordrecht, 1993, pp. 315-377.
-
(1993)
Computer Simulation in Chemical Physics
, pp. 315-377
-
-
Coker, D.F.1
-
211
-
-
1842779733
-
-
M. Topaler, T. Allison, D. Schwenke, and D. Truhlar, J. Chem. Phys. 109, 3321 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 3321
-
-
Topaler, M.1
Allison, T.2
Schwenke, D.3
Truhlar, D.4
-
213
-
-
0000416638
-
-
M. Hack, A. Jasper, Y. Volobuev, D. Schwenke, and D. Truhlar, J. Phys. Chem. A 103, 6309 (1999).
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 6309
-
-
Hack, M.1
Jasper, A.2
Volobuev, Y.3
Schwenke, D.4
Truhlar, D.5
-
215
-
-
0033687789
-
-
Y. Volobuev, M. Hack, M. Topaler, and D. Truhlar, J. Chem. Phys. 112, 9716 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 9716
-
-
Volobuev, Y.1
Hack, M.2
Topaler, M.3
Truhlar, D.4
-
222
-
-
0035878990
-
-
M. Hack, A. Wensmann, D. Truhlar, M. Ben-Nun, and T. Martinez, J. Chem. Phys. 115, 1172 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 1172
-
-
Hack, M.1
Wensmann, A.2
Truhlar, D.3
Ben-Nun, M.4
Martinez, T.5
-
224
-
-
0000117359
-
-
M. Topaler, M. Hack, T. Allison, Y.-P. Liu, S. Mielke, D. Schwenke, and D. Truhlar, J. Chem. Phys. 106, 8699 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 8699
-
-
Topaler, M.1
Hack, M.2
Allison, T.3
Liu, Y.-P.4
Mielke, S.5
Schwenke, D.6
Truhlar, D.7
-
226
-
-
0000275267
-
-
A. Ferretti, G. Granucci, A. Lami, M. Persico, and G. Villani, J. Chem. Phys. 104, 5517 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5517
-
-
Ferretti, A.1
Granucci, G.2
Lami, A.3
Persico, M.4
Villani, G.5
-
230
-
-
0030794947
-
-
M. Garavelli, P. Celani, F. Bernardi, M. Robb, and M. Olivucci, J. Am. Chem. Soc. 119, 6891 (1997).
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 6891
-
-
Garavelli, M.1
Celani, P.2
Bernardi, F.3
Robb, M.4
Olivucci, M.5
-
233
-
-
0030099772
-
-
N. Yamamoto, T. Vreven, M. Robb, M. Frisch, and H. Schlegel, Chem. Phys. Lett. 250, 373 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.250
, pp. 373
-
-
Yamamoto, N.1
Vreven, T.2
Robb, M.3
Frisch, M.4
Schlegel, H.5
-
234
-
-
78751549709
-
-
D. Yarkony, ed.,World Scientific, Singapore
-
D. Yarkony, in Modern Electronic structure theory, D. Yarkony, ed.,World Scientific, Singapore, 1995, pp. 643-721.
-
(1995)
Modern Electronic structure theory
, pp. 643-721
-
-
Yarkony, D.1
-
237
-
-
34447626897
-
-
I. Palmer, I. Ragazos, F. Bernardi, M. Olivucci, and M. Robb, J. Am. Chem. Soc. 115, 672 (1992).
-
(1992)
J. Am. Chem. Soc.
, vol.115
, pp. 672
-
-
Palmer, I.1
Ragazos, I.2
Bernardi, F.3
Olivucci, M.4
Robb, M.5
-
240
-
-
0000397161
-
-
A. J. Wurzer, T. Wilhelm, J. Piel, and E. Riedle, Chem. Phys. Lett. 299, 296 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.299
, pp. 296
-
-
Wurzer, A.J.1
Wilhelm, T.2
Piel, J.3
Riedle, E.4
-
242
-
-
0039000044
-
-
V. Buß, O, Weingart, and M. Sugihara, Ang. Chem. Int. Ed. Engl. 39, 2784 (2000).
-
(2000)
Ang. Chem. Int. Ed. Engl.
, vol.39
, pp. 2784
-
-
Buß, V.1
Weingart, O.2
Sugihara, M.3
-
243
-
-
78751550193
-
-
M. Ben-Nun, F. Molnar, L. H., J. Phillips, T. Martínez, and K. Schulten, Faraday Discuss. 447 (1998).
-
(1998)
Faraday Discuss
, vol.447
-
-
Ben-Nun, M.1
Molnar, F.2
Phillips, L.H.J.3
Martínez, T.4
Schulten, K.5
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