-
1
-
-
0038302547
-
-
Leopold, K. R.; Fraser, G. T.; Novick S. E.; Klemperer, W. Chem. Rev. 1994, 94, 1807.
-
(1994)
Chem. Rev.
, vol.94
, pp. 1807
-
-
Leopold, K.R.1
Fraser, G.T.2
Novick, S.E.3
Klemperer, W.4
-
6
-
-
4243931524
-
-
Furio, N.; Ali, A.; Dagdigian, P. J. Chem. Phys. Lett. 1986, 125, 561.
-
(1986)
Chem. Phys. Lett.
, vol.125
, pp. 561
-
-
Furio, N.1
Ali, A.2
Dagdigian, P.J.3
-
7
-
-
0001461717
-
-
Furio, N.; Ali, A.; Dagdigian, P. J. J. Chem. Phys. 1986, 85, 3860.
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 3860
-
-
Furio, N.1
Ali, A.2
Dagdigian, P.J.3
-
9
-
-
0000770880
-
-
Ali, A.; Jihua, G.; Dagdigian, P. J. J. Chem. Phys. 1987, 87, 2045.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 2045
-
-
Ali, A.1
Jihua, G.2
Dagdigian, P.J.3
-
10
-
-
0011638593
-
-
Randall, R. W.; Chuang, C.-C.; Lester, M. J. Chem. Phys. Lett. 1992, 200, 113.
-
(1992)
Chem. Phys. Lett.
, vol.200
, pp. 113
-
-
Randall, R.W.1
Chuang, C.-C.2
Lester, M.J.3
-
13
-
-
0000408641
-
-
Qian, H.-B.; Seccombe, D.; Howard, B. J. J. Chem. Phys. 1997, 107, 7658.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 7658
-
-
Qian, H.-B.1
Seccombe, D.2
Howard, B.J.3
-
14
-
-
0010021346
-
-
Qian, H.-B.; Low, S. J.; Seccombe, D.; Howard, B. J. J. Chem. Phys. 1997, 107, 7651.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 7651
-
-
Qian, H.-B.1
Low, S.J.2
Seccombe, D.3
Howard, B.J.4
-
20
-
-
0000299476
-
-
Katayama, P. H.; Miller, T. A.; Bondybey, V. E. J. Chem. Phys. 1979, 71, 1662.
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 1662
-
-
Katayama, P.H.1
Miller, T.A.2
Bondybey, V.E.3
-
22
-
-
0031560165
-
-
Lawrence, W. G.; Chen, Y.; Heaven, C. M. J. Chem. Phys. 1997, 107, 7163.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 7163
-
-
Lawrence, W.G.1
Chen, Y.2
Heaven, C.M.3
-
24
-
-
36549091126
-
-
Werner, H. J.; Follmeg, B.; Alexander, M. H. J. Chem. Phys. 1988, 89, 3139.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 3139
-
-
Werner, H.J.1
Follmeg, B.2
Alexander, M.H.3
-
25
-
-
0042913804
-
-
Werner, H. J.; Follmeg, B.; Alexander, M. H.; Lemoine, D. J. Chem. Phys. 1989, 91, 5142.
-
(1989)
Chem. Phys.
, vol.91
, pp. 5142
-
-
Werner, H.J.1
Follmeg, B.2
Alexander, M.H.3
Lemoine, D.J.4
-
29
-
-
0042913803
-
-
Dykstra, C. E., Ed.; Reidel: Dordrecht, The Netherlands
-
Werner, H.-J.; Reinsch, E. A. Advanced Theory and Computational Approaches to the Electronic Structure of Molecules; Dykstra, C. E., Ed.; Reidel: Dordrecht, The Netherlands, 1984; p 79.
-
(1984)
Advanced Theory and Computational Approaches to the Electronic Structure of Molecules
, pp. 79
-
-
Werner, H.-J.1
Reinsch, E.A.2
-
33
-
-
36449006532
-
-
Chalasinski, G.; Gutowski, M.; Szczesniak, M. M.; Sadlej, A.; Scheiner, S. J. Chem. Phys. 1994, 101, 6800.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 6800
-
-
Chalasinski, G.1
Gutowski, M.2
Szczesniak, M.M.3
Sadlej, A.4
Scheiner, S.5
-
34
-
-
0000327486
-
-
Cybulski, S. M.; Burel, R.; Chalasinski, G.; Szczesniak, M. M. J. Chem. Phys. 1995, 103, 10116.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 10116
-
-
Cybulski, S.M.1
Burel, R.2
Chalasinski, G.3
Szczesniak, M.M.4
-
35
-
-
0009719106
-
-
Cybulski, S. M.; Burel, R.; Chalasinski, G.; Szczesniak, M. M. J. Chem. Phys. 1996, 104, 7997.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 7997
-
-
Cybulski, S.M.1
Burel, R.2
Chalasinski, G.3
Szczesniak, M.M.4
-
36
-
-
0000755370
-
-
Kendal, R. A.; Chalasinski, G.; Klos, J.; Bukowski, R.; Severson, M. W.; Szczesniak, M. M.; Cybulski, S. M. J. Chem. Phys. 1998, 108, 3235.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 3235
-
-
Kendal, R.A.1
Chalasinski, G.2
Klos, J.3
Bukowski, R.4
Severson, M.W.5
Szczesniak, M.M.6
Cybulski, S.M.7
-
37
-
-
0001767745
-
-
Cybulski, S. M.; Chalasinski, G.; Szczesniak, M. M. J. Chem. Phys. 1996, 105, 9525.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 9525
-
-
Cybulski, S.M.1
Chalasinski, G.2
Szczesniak, M.M.3
-
38
-
-
0000728421
-
-
Burel, R.; Krems, R. V.; Buchachenko, A. A; Szczesniak, M. M.; Chalasinski, G.; Cybulski, S. M. J. Chem. Phys. 1998, 109, 2144.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 2144
-
-
Burel, R.1
Krems, R.V.2
Buchachenko, A.A.3
Szczesniak, M.M.4
Chalasinski, G.5
Cybulski, S.M.6
-
39
-
-
84946634540
-
-
Kvasnička, V.; Laurinc, V.; Biskupič, S. Mol. Phys. 1981, 42, 1345.
-
(1981)
Mol. Phys.
, vol.42
, pp. 1345
-
-
Kvasnička, V.1
Laurinc, V.2
Biskupič, S.3
-
40
-
-
0000959254
-
-
Cársky, P.; Zahradník, R.; Hubač, I.; Urban, M.; Kellö V. Theor. Chim. Acta 1980, 56, 315.
-
(1980)
Theor. Chim. Acta
, vol.56
, pp. 315
-
-
Cársky, P.1
Zahradník, R.2
Hubač, I.3
Urban, M.4
Kellö, V.5
-
41
-
-
0000034121
-
-
Lukeš, V.; Laurinc, V.; Biskupič, S. J. Comput. Chem. 1999, 20, 857.
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 857
-
-
Lukeš, V.1
Laurinc, V.2
Biskupič, S.3
-
43
-
-
36449004185
-
-
and references therein
-
Rybak, S.; Jeziorski, B.; Szalewicz, K.; J. Chem. Phys. 1991, 95, 6576 and references therein.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 6576
-
-
Rybak, S.1
Jeziorski, B.2
Szalewicz, K.3
-
45
-
-
0032331430
-
-
and references therein
-
Laurinc, V.; Lukeš, V.; Biskupič, S. Theor. Chem. Acc. 1998, 99, 53 and references therein.
-
(1998)
Theor. Chem. Acc.
, vol.99
, pp. 53
-
-
Laurinc, V.1
Lukeš, V.2
Biskupič, S.3
-
48
-
-
26444507215
-
-
and references therein
-
Salter, E. A.; Trucks, G. W.; Bartlett, R. J. J. Chem. Phys. 1989, 90, 1752 and references therein.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1752
-
-
Salter, E.A.1
Trucks, G.W.2
Bartlett, R.J.3
-
49
-
-
0001361289
-
-
and references therein
-
Cybulski, S. M. J. Chem. Phys. 1992, 97, 7545 and references therein.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7545
-
-
Cybulski, S.M.1
-
50
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; HeadGordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian, Inc.: Pittsburgh, PA, 1994.
-
(1994)
Gaussian 94
-
-
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
Headgordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
54
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96. 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning T.H., Jr.2
Harrison, R.J.3
-
55
-
-
0007136498
-
-
Pacific Northwest Laboratory: P.O. Box 999, Richland, WA 99352
-
Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, version 1.0. Feller, D.; Schuchardt, K. Pacific Northwest Laboratory: P.O. Box 999, Richland, WA 99352.
-
Extensible Computational Chemistry Environment Basis Set Database, Version 1.0
-
-
Feller, D.1
Schuchardt, K.2
-
56
-
-
0004007159
-
-
University of Lund: Lund, Sweden
-
Anderson, K.; Blomberg, M. R. A.; Fülscher, M. P.; Karlström, G.; Kellö, V.; Lindh, R.; Malmqvist. P-Å; Noga, J.; Olsen, J.; Roos, B. O.; Sadlej, A. J.; Siegbahn, P. E. M.; Urban, M.; Widmark, P.-O. Molcas-3; University of Lund: Lund, Sweden 1994.
-
(1994)
Molcas-3
-
-
Anderson, K.1
Blomberg, M.R.A.2
Fülscher, M.P.3
Karlström, G.4
Kellö, V.5
Lindh, R.6
Malmqvist, P.-Å.7
Noga, J.8
Olsen, J.9
Roos, B.O.10
Sadlej, A.J.11
Siegbahn, P.E.M.12
Urban, M.13
Widmark, P.-O.14
-
57
-
-
0002660075
-
-
Lauderdale, W. J.; Stanton, J. F.; Gauss, J.; Watts, J. D.; Bartlett, R. J. Chem. Phys. Lett. 1991, 187, 21.
-
(1991)
Chem. Phys. Lett.
, vol.187
, pp. 21
-
-
Lauderdale, W.J.1
Stanton, J.F.2
Gauss, J.3
Watts, J.D.4
Bartlett, R.J.5
-
59
-
-
0040039979
-
-
Urban, M.; Neogrady, P.; Raab. J.; Diercksen, G. H. F. Collect. Czech. Chem. Commun. 1998, 63, 1409.
-
(1998)
Collect. Czech. Chem. Commun.
, vol.63
, pp. 1409
-
-
Urban, M.1
Neogrady, P.2
Raab, J.3
Diercksen, G.H.F.4
|