-
1
-
-
0011564270
-
-
Davidson, E.R., and Borden, W.T., 1983, J. phys. Chem., 87, 4783.
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 4783
-
-
Davidson, E.R.1
Borden, W.T.2
-
2
-
-
2742614968
-
-
Garavelli, M., Bernardi, F., Olivucci, M., Vreven, T., Klein, S., Celani, P., and Robb, M.A., 1998, Faraday Discuss., 110, 51.
-
(1998)
Faraday Discuss.
, vol.110
, pp. 51
-
-
Garavelli, M.1
Bernardi, F.2
Olivucci, M.3
Vreven, T.4
Klein, S.5
Celani, P.6
Robb, M.A.7
-
4
-
-
43949151212
-
-
Bearvark, M.J., Robb, M.A., and Schlegel, H.B., 1994, Chem. Phys. Lett., 223, 269.
-
(1994)
Chem. Phys. Lett.
, vol.223
, pp. 269
-
-
Bearvark, M.J.1
Robb, M.A.2
Schlegel, H.B.3
-
5
-
-
0000588956
-
-
Jahn, H.A., and Teller, E., 1937, Proc. R. Soc. Lond. A, 161, 220.
-
(1937)
Proc. R. Soc. Lond. A
, vol.161
, pp. 220
-
-
Jahn, H.A.1
Teller, E.2
-
6
-
-
0001127962
-
-
Barckholtz, T.A., and Miller, T.A., 1998, Intl. Rev. phys. Chem., 17, 435.
-
(1998)
Intl. Rev. Phys. Chem.
, vol.17
, pp. 435
-
-
Barckholtz, T.A.1
Miller, T.A.2
-
9
-
-
0011929869
-
-
New York: Wiley
-
Frey, R.F., and DAvidson, E.R., 1990, Advances in Molecular Electronic Structure Theory: Calculation and Characterisation of Potential Energy Surfaces, Vol. 1 (New York: Wiley) p. 228.
-
(1990)
Advances in Molecular Electronic Structure Theory: Calculation and Characterisation of Potential Energy Surfaces
, vol.1
, pp. 228
-
-
Frey, R.F.1
Davidson, E.R.2
-
10
-
-
0000535571
-
-
Bearpark, M.J., Robb, M.A., and Yamamoto, N., 1999, Spectrochim. Acta A, 55, 639.
-
(1999)
Spectrochim. Acta A
, vol.55
, pp. 639
-
-
Bearpark, M.J.1
Robb, M.A.2
Yamamoto, N.3
-
12
-
-
0000754143
-
-
Öpik, U., and Pryce, M.H.L., 1957, Proc. R. Soc. Lond. A, 238, 425.
-
(1957)
Proc. R. Soc. Lond. A
, vol.238
, pp. 425
-
-
Öpik, U.1
Pryce, M.H.L.2
-
13
-
-
0003912310
-
-
Pittsburgh, PA: Gaussian, Inc.
-
Gaussian 99, Development Version (Revision B.01): Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Zakrzewski, V.G., Montgomery, J.A. Jr., 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., Ortiz, J.V., Baboul, A.G., Cioslowskl J., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Gomperts, R., Martin, R.L., Fox, D.J., Keith, T., Allaham, M.A., Peng, C.Y., Nanayakkara, A., Gonzalez, C., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Andres, J.L., Gonzalez, C., Head-Gordon, M., Replogle, E.S., and POple, J.A., 1998, Gaussian 99, Development Version, Revision B.01 (Pittsburgh, PA: Gaussian, Inc.).
-
(1998)
Gaussian 99, Development Version, Revision B.01
-
-
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., Jr.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
Ortiz, J.V.34
Baboul, A.G.35
Cioslowskl, J.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Allaham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
14
-
-
0011986445
-
-
Kataoka, M., Ohmae, T., and NAkajima, T., 1986, J. org. Chem., 51, 358.
-
(1986)
J. Org. Chem.
, vol.51
, pp. 358
-
-
Kataoka, M.1
Ohmae, T.2
Nakajima, T.3
-
15
-
-
36449006655
-
-
Burton, N.A., Yamaguchi, Y., Alberts, I.L., and Schaefer III, H.F., 1991, J. chem. Phys., 95, 7466.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 7466
-
-
Burton, N.A.1
Yamaguchi, Y.2
Alberts, I.L.3
Schaefer H.F. III4
-
16
-
-
0031176624
-
-
Koseki, S., and Toyota, A., 1997, J. phys. Chem. A, 101, 5712.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 5712
-
-
Koseki, S.1
Toyota, A.2
-
17
-
-
0035978916
-
-
and references therein
-
Ogurtsov, I. Ya., Munteanu, G., Bantush, L., and Bersuker, I.B., 2001, J. molec. Struct. Theochem., 541, 141 and references therein.
-
(2001)
J. Molec. Struct. Theochem.
, vol.541
, pp. 141
-
-
Ogurtsov, I.Ya.1
Munteanu, G.2
Bantush, L.3
Bersuker, I.B.4
-
18
-
-
2342598742
-
-
Lengsfield, B.H., Saxe, P., and Yarkony, D.R., 1984, J. chem. Phys., 81, 4549.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 4549
-
-
Lengsfield, B.H.1
Saxe, P.2
Yarkony, D.R.3
-
19
-
-
0001464701
-
-
Page, M., Saxe, P., Adams, G.F., and Lengsfield, B.H., 1984, J. chem. Phys., 81, 434.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 434
-
-
Page, M.1
Saxe, P.2
Adams, G.F.3
Lengsfield, B.H.4
-
20
-
-
0001980554
-
-
Koppel, H., Domcke, W., and Cederbaum, L.S., 1984, Adv. chem. Phys., 57, 59.
-
(1984)
Adv. Chem. Phys.
, vol.57
, pp. 59
-
-
Koppel, H.1
Domcke, W.2
Cederbaum, L.S.3
-
21
-
-
0000457645
-
-
Cederbaum, L.S., Domcke, W., Schirmer, W., and Von Niessen, W., 1986, Adv. chem. Phys., 65, 115.
-
(1986)
Adv. Chem. Phys.
, vol.65
, pp. 115
-
-
Cederbaum, L.S.1
Domcke, W.2
Schirmer, W.3
Von Niessen, W.4
-
22
-
-
84987144673
-
-
Almlöf, J., and Taylor, P.R., 1985, Int. J. Quantum. Chem., 27, 743.
-
(1985)
Int. J. Quantum. Chem.
, vol.27
, pp. 743
-
-
Almlöf, J.1
Taylor, P.R.2
-
23
-
-
0030099772
-
-
Yamamoto, N., Vreven, T., Robb, M.A., Frisch, M.J., and Schlegel, H.B., 1996, Chem. Phys. Lett., 250, 373.
-
(1996)
Chem. Phys. Lett.
, vol.250
, pp. 373
-
-
Yamamoto, N.1
Vreven, T.2
Robb, M.A.3
Frisch, M.J.4
Schlegel, H.B.5
-
24
-
-
0012007730
-
-
Ph.D. thesis, University of London
-
Vreven, T., 1998, Ph.D. thesis, University of London.
-
(1998)
-
-
Vreven, T.1
-
25
-
-
0000654015
-
-
Ogurtsov, I. Ya., and Gorinchoy, N.N., 1995, J. molec. Struct. Theochem, 331, 281.
-
(1995)
J. Molec. Struct. Theochem
, vol.331
, pp. 281
-
-
Ogurtsov, I.Ya.1
Gorinchoy, N.N.2
-
26
-
-
0000317783
-
-
Bearpark, M.J., Bernardi, F., Olivucci, M., and Robb, M.A., 1996, Intl. J. Quantum Chem., 60, 505.
-
(1996)
Intl. J. Quantum Chem.
, vol.60
, pp. 505
-
-
Bearpark, M.J.1
Bernardi, F.2
Olivucci, M.3
Robb, M.A.4
-
27
-
-
0030972307
-
-
Bally, T., Chai, S., Neuenschwander, M., and Zhu, Z., 1997, J. Amer. chem. Soc., 119, 1869.
-
(1997)
J. Amer. Chem. Soc.
, vol.119
, pp. 1869
-
-
Bally, T.1
Chai, S.2
Neuenschwander, M.3
Zhu, Z.4
-
28
-
-
0001690899
-
-
Falchi, A., Gellini, C., Salvi, P.R., and Hafner, K., 1995, J. phys. Chem., 99, 14659.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 14659
-
-
Falchi, A.1
Gellini, C.2
Salvi, P.R.3
Hafner, K.4
-
29
-
-
0000780495
-
-
Bearpark, M.J., and Robb, M.A., 2000, J. phys. Chem. A, 104, 1075.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 1075
-
-
Bearpark, M.J.1
Robb, M.A.2
-
30
-
-
0000903737
-
-
Falchi, A., Gellini, C., and Salvi, P.R., 2000, J. phys. Chem. A, 104, 1078.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 1078
-
-
Falchi, A.1
Gellini, C.2
Salvi, P.R.3
-
32
-
-
0007935753
-
-
Zilberg, S., and Haas, Y., 1998, J. phys. Chem., 102, 10843.
-
(1998)
J. Phys. Chem.
, vol.102
, pp. 10843
-
-
Zilberg, S.1
Haas, Y.2
-
33
-
-
0011999537
-
-
Toyota, A., Kataoka, M., and Koseki, S., 1992, Chem. Lett., 791.
-
(1992)
Chem. Lett.
, pp. 791
-
-
Toyota, A.1
Kataoka, M.2
Koseki, S.3
-
34
-
-
0000121785
-
-
Wenthold, P.G., Hrovat, D.A., Borden, W.T., and Lineberger, W.C.,1996, Science, 272, 1456.
-
(1996)
Science
, vol.272
, pp. 1456
-
-
Wenthold, P.G.1
Hrovat, D.A.2
Borden, W.T.3
Lineberger, W.C.4
-
35
-
-
0035961493
-
-
Baedridge, K.K., and Siegel, J.S., 2001, J. Amer. chem. Soc., 123, 1755.
-
(2001)
J. Amer. Chem. Soc.
, vol.123
, pp. 1755
-
-
Baedridge, K.K.1
Siegel, J.S.2
-
37
-
-
0000163113
-
-
Ermer, O., Klärner, F.-G., and Wette, M., 1986, J. Amer. chem. Soc., 108, 4908.
-
(1986)
J. Amer. Chem. Soc.
, vol.108
, pp. 4908
-
-
Ermer, O.1
Klärner, F.-G.2
Wette, M.3
-
38
-
-
0001388288
-
-
Dewar, M.J.S., and Merz, K.M., 1985, J. phys. Chem., 89, 4739.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 4739
-
-
Dewar, M.J.S.1
Merz, K.M.2
-
39
-
-
0001683740
-
-
Hrovat, D.A., and Borden, W.T., 1992, J. Amer. chem. Soc., 114, 5879.
-
(1992)
J. Amer. Chem. Soc.
, vol.114
, pp. 5879
-
-
Hrovat, D.A.1
Borden, W.T.2
-
40
-
-
0001410862
-
-
Andres, J.L., Castano, O., Morreale, A., Palmeiro, R., and Gomperts, R., 1998, J. chem. Phys., 108, 203.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 203
-
-
Andres, J.L.1
Castano, O.2
Morreale, A.3
Palmeiro, R.4
Gomperts, R.5
-
44
-
-
0035901653
-
-
Garavelli, M., Bernardi, F., Moliner, V., and Olivucci, M., 2001, Angew. Chem. Intl Edn., 40, 1466.
-
(2001)
Angew. Chem. Intl Edn.
, vol.40
, pp. 1466
-
-
Garavelli, M.1
Bernardi, F.2
Moliner, V.3
Olivucci, M.4
-
45
-
-
0034599123
-
-
Bally, T., Bernhard, S., Matzinger, S., Truttmann, L., Zhu, Z.D., Roulin, J.L., Marcinek, A., Gebicki, J., Williams, F., Chen, G.F., Roth, H.D., and Herbertz, T., 2000, Chemistry, 6, 849.
-
(2000)
Chemistry
, vol.6
, pp. 849
-
-
Bally, T.1
Bernhard, S.2
Matzinger, S.3
Truttmann, L.4
Zhu, Z.D.5
Roulin, J.L.6
Marcinek, A.7
Gebicki, J.8
Williams, F.9
Chen, G.F.10
Roth, H.D.11
Herbertz, T.12
-
46
-
-
0000881263
-
-
Schwerdtfeger, P., Boyd, P.D.W., Fischer, T., Hunt, P., and Liddell, M., 1994, J. Amer. chem. Soc., 116, 9620.
-
(1994)
J. Amer. Chem. Soc.
, vol.116
, pp. 9620
-
-
Schwerdtfeger, P.1
Boyd, P.D.W.2
Fischer, T.3
Hunt, P.4
Liddell, M.5
-
47
-
-
0000493863
-
-
Creve, S., and Nguyen, M.T., 1998, J. phys. Chem. A, 102, 6549.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 6549
-
-
Creve, S.1
Nguyen, M.T.2
|