-
2
-
-
0000502832
-
-
(a) Nakatsuji, H.; Hasegawa, J.; Ohkawa, K. Chem. Phys. Lett. 1998, 296, 499.
-
(1998)
Chem. Phys. Lett.
, vol.296
, pp. 499
-
-
Nakatsuji, H.1
Hasegawa, J.2
Ohkawa, K.3
-
3
-
-
0000646009
-
-
(b) Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 10410.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 10410
-
-
Hasegawa, J.1
Ohkawa, K.2
Nakatsuji, H.3
-
6
-
-
0035871786
-
-
(e) Ohtsuka, Y.; Ohkawa, K.; Nakatsuji, H. J. Comput. Chem. 2001, 22, 521.
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 521
-
-
Ohtsuka, Y.1
Ohkawa, K.2
Nakatsuji, H.3
-
8
-
-
0020665426
-
-
Pryor, W. A.; Hales, B. J.; Premovic, P. I.; Church, D. F. Science 1983, 220, 425.
-
(1983)
Science
, vol.220
, pp. 425
-
-
Pryor, W.A.1
Hales, B.J.2
Premovic, P.I.3
Church, D.F.4
-
11
-
-
0001647256
-
-
(b) Mitani, T.; Saito, G.; Urayama, H. Phys. Rev. Lett. 1988, 60, 2299.
-
(1988)
Phys. Rev. Lett.
, vol.60
, pp. 2299
-
-
Mitani, T.1
Saito, G.2
Urayama, H.3
-
14
-
-
0000932651
-
-
(c) Brint, P.; Connerade, J.-P.; Tsekeris, P.; Bolovinos, A.; Baig, A. J. Chem. Soc., Faraday Trans. 2 1986, 82, 367.
-
(1986)
J. Chem. Soc., Faraday Trans. 2
, vol.82
, pp. 367
-
-
Brint, P.1
Connerade, J.-P.2
Tsekeris, P.3
Bolovinos, A.4
Baig, A.5
-
18
-
-
84987317318
-
-
(a) Hug, W.; Kuhn, J.; Seibold, K.; Labhart, H.; Wagniére, G. Helv. Chim. Acta 1971, 54, 1451.
-
(1971)
Helv. Chim. Acta
, vol.54
, pp. 1451
-
-
Hug, W.1
Kuhn, J.2
Seibold, K.3
Labhart, H.4
Wagniére, G.5
-
22
-
-
0001582383
-
-
(b) Ha, T.-K. Mol. Phys. 1983, 49, 1471.
-
(1983)
Mol. Phys.
, vol.49
, pp. 1471
-
-
Ha, T.-K.1
-
23
-
-
0039056593
-
-
(c) Pou-Amérigo, R.; Merchán, M.; Ortí, E. J. Chem. Phys. 1999, 110, 9536.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 9536
-
-
Pou-Amérigo, R.1
Merchán, M.2
Ortí, E.3
-
24
-
-
0035282601
-
-
(d) Weber, J.; Malsch, K.; Hohlneicher, G. Chem. Phys. 2001, 264, 275.
-
(2001)
Chem. Phys.
, vol.264
, pp. 275
-
-
Weber, J.1
Malsch, K.2
Hohlneicher, G.3
-
26
-
-
0000678041
-
-
(b) Åsbrink, L.; Bieri, G.; Fridh, C.; Lindholm, E.; Chong, D. P. Chem. Phys. 1979, 43, 189.
-
(1979)
Chem. Phys.
, vol.43
, pp. 189
-
-
Åsbrink, L.1
Bieri, G.2
Fridh, C.3
Lindholm, E.4
Chong, D.P.5
-
28
-
-
0035396237
-
-
(d) Stanton, J. F.; Sattelmeyer, K. W.; Gauss, J.; Allan, M.; Skalicky, T.; Bally, T. J. Chem. Phys. 2001, 115, 1.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 1
-
-
Stanton, J.F.1
Sattelmeyer, K.W.2
Gauss, J.3
Allan, M.4
Skalicky, T.5
Bally, T.6
-
30
-
-
10844225583
-
-
(b) Christiansen, O.; Koch, H.; Jørgensen, P. Chem. Phys. Lett. 1995, 243, 409.
-
(1995)
Chem. Phys. Lett.
, vol.243
, pp. 409
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
31
-
-
84913716294
-
-
Atlas Symposium No. 4
-
(a) Jonkman, H. T.; van der Velde, G. A.; Nieuwport, W. C. In Quantum Chemistry, The state of the art, Proceedings of S. R. C.; Atlas Symposium No. 4; 1974; p 243.
-
(1974)
Quantum Chemistry, the State of the Art, Proceedings of S. R. C.
, pp. 243
-
-
Jonkman, H.T.1
Van Der Velde, G.A.2
Nieuwport, W.C.3
-
34
-
-
0001642076
-
-
(a) Cooper, C. D.; Naff, W. T.; Compton, R. N. J. Chem. Phys. 1975, 63, 2752.
-
(1975)
J. Chem. Phys.
, vol.63
, pp. 2752
-
-
Cooper, C.D.1
Naff, W.T.2
Compton, R.N.3
-
35
-
-
0001095046
-
-
(b) Marks, J.; Comita, P. B.; Brauman, J. I. J. Am. Chem. Soc. 1985, 107, 3718.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3718
-
-
Marks, J.1
Comita, P.B.2
Brauman, J.I.3
-
38
-
-
0001929293
-
-
(a) Tripathi, G. N. R.; Sun, Q.; Schuler, R. H. Chem. Phys. Lett. 1989, 156, 51.
-
(1989)
Chem. Phys. Lett.
, vol.156
, pp. 51
-
-
Tripathi, G.N.R.1
Sun, Q.2
Schuler, R.H.3
-
40
-
-
0030761583
-
-
(c) Cook, A. R.; Curtiss, L. A.; Miller, J. R. J. Am. Chem. Soc. 1997, 119, 5729.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5729
-
-
Cook, A.R.1
Curtiss, L.A.2
Miller, J.R.3
-
45
-
-
0040520014
-
-
(b) Pou-Amérigo, R.; Serrano-Andrés, L.; Merchán, M.; Ortí, E.; Forsberg, N. J. Am. Chem. Soc. 2000, 122, 6067.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 6067
-
-
Pou-Amérigo, R.1
Serrano-Andrés, L.2
Merchán, M.3
Ortí, E.4
Forsberg, N.5
-
50
-
-
0003481863
-
-
Leszczynksi, J., Ed.; World Scientific: Singapore
-
(b) Nakatsuji, H. In Computational Chemistry, Reviews of Current Trends; Leszczynksi, J., Ed.; World Scientific: Singapore, 1997; Vol. 2.
-
(1997)
Computational Chemistry, Reviews of Current Trends
, vol.2
-
-
Nakatsuji, H.1
-
52
-
-
0003718311
-
-
Elsevier: Amsterdam
-
Huzinaga, S.; Andzelm, J.; Klobukowski, M.; Radzio-Andzelm, E.; Sakai, Y.; Tatewaki, H. Gaussian Basis Set for Molecular Calculations; Elsevier: Amsterdam, 1984.
-
(1984)
Gaussian Basis Set for Molecular Calculations
-
-
Huzinaga, S.1
Andzelm, J.2
Klobukowski, M.3
Radzio-Andzelm, E.4
Sakai, Y.5
Tatewaki, H.6
-
53
-
-
0001869946
-
-
Schaefer, H. F., III., Ed.: Plenum: New York
-
Dunning, T. H. Jr.; Hay, P. J. In Modern Theoretical Chemistry; Schaefer, H. F., III., Ed.: Plenum: New York, 1977; Vol. 3, p 1.
-
(1977)
Modern Theoretical Chemistry
, vol.3
, pp. 1
-
-
Dunning T.H., Jr.1
Hay, P.J.2
-
56
-
-
0001432941
-
-
(b) Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2321
-
-
Nakatsuji, H.1
Hasegawa, J.2
Hada, M.3
-
57
-
-
0001415810
-
-
(c) Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. A 1998, 102, 1843.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1843
-
-
Tokita, Y.1
Hasegawa, J.2
Nakatsuji, H.3
-
58
-
-
0011164229
-
-
Toyota, K. SAC/SAC-CI program system (SAC-C196) for calculating ground, excited, ionized, and electron attached states and singlet to septet spin multiplicities
-
Nakatsuji, H.; Hada, M.; Ehara, M.; Hasegawa, J.; Nakajima, T.; Nakai, H.; Kitao, O.; Toyota, K. SAC/SAC-CI program system (SAC-C196) for calculating ground, excited, ionized, and electron attached states and singlet to septet spin multiplicities, 1998.
-
(1998)
-
-
Nakatsuji, H.1
Hada, M.2
Ehara, M.3
Hasegawa, J.4
Nakajima, T.5
Nakai, H.6
Kitao, O.7
-
59
-
-
0004133516
-
-
revision A.1; Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M. Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ciolowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nakayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.1; Gaussian Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98
-
-
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, 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
Ciolowski, 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
Nakayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
61
-
-
0001136124
-
-
(a) Åsbrink, L.; Fridh, C.; Lindholm, E.; de Bruijn, S. Chem. Phys. Lett. 1979, 66, 411.
-
(1979)
Chem. Phys. Lett.
, vol.66
, pp. 411
-
-
Åsbrink, L.1
Fridh, C.2
Lindholm, E.3
De Bruijn, S.4
-
64
-
-
0001980554
-
-
Köppel, H.; Domcke, W.; Cederbaum, L. S. Adv. Chem. Phys. 1984, 57, 59.
-
(1984)
Adv. Chem. Phys.
, vol.57
, pp. 59
-
-
Köppel, H.1
Domcke, W.2
Cederbaum, L.S.3
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