-
1
-
-
14944383373
-
Conical intersection and organic reaction mechanisms
-
Advance Series in Physical Chemistry Vol. 15; Domcke, W., Yarkony, D. R., Koppel, H., Eds.; World Scientific: Singapore
-
Migani, A.; Olivucci, M. Conical Intersection and Organic Reaction mechanisms. In Conical Intersections: Electronic Structure, Dynamics & Spectroscopy; Advance Series in Physical Chemistry Vol. 15; Domcke, W., Yarkony, D. R., Koppel, H., Eds.; World Scientific: Singapore, 2004; p 271.
-
(2004)
Conical Intersections: Electronic Structure, Dynamics & Spectroscopy
, pp. 271
-
-
Migani, A.1
Olivucci, M.2
-
2
-
-
0037024196
-
-
Blancafort, L.; González, D.; Olivucci, M.; Robb, M. A. J. Am. Chem. Soc. 2002, 124, 6398.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 6398
-
-
Blancafort, L.1
González, D.2
Olivucci, M.3
Robb, M.A.4
-
3
-
-
33645785485
-
Conical intersection: Their description and consequences
-
Advance Series in Physical Chemistry Vol. 15; Domcke, W., Yarkony, D. R., Koppel, H., Eds.; World Scientific: Singapore
-
Yarkony, D. R. Conical Intersection: Their Description and Consequences. In Conical Intersections: Electronic Structure, Dynamics & Spectroscopy; Advance Series in Physical Chemistry Vol. 15; Domcke, W., Yarkony, D. R., Koppel, H., Eds.; World Scientific: Singapore, 2004; p 41.
-
(2004)
Conical Intersections: Electronic Structure, Dynamics & Spectroscopy
, pp. 41
-
-
Yarkony, D.R.1
-
4
-
-
0030352943
-
-
Bernardi, F.; Olivucci, M.; Robb, M. A. Chem. Soc. Rev. 1996, 25, 321.
-
(1996)
Chem. Soc. Rev.
, vol.25
, pp. 321
-
-
Bernardi, F.1
Olivucci, M.2
Robb, M.A.3
-
5
-
-
0000814243
-
-
Ragazos, I. N.; Robb, M. A.; Bernardi, F.; Olivucci, M. Chem. Phys. Lett. 1992, 197, 217.
-
(1992)
Chem. Phys. Lett.
, vol.197
, pp. 217
-
-
Ragazos, I.N.1
Robb, M.A.2
Bernardi, F.3
Olivucci, M.4
-
6
-
-
43949151212
-
-
Bearpark, M. J.; Robb, M. A.; Schlegel, H. B. Chem. Phys. Lett. 1994, 223, 269.
-
(1994)
Chem. Phys. Lett.
, vol.223
, pp. 269
-
-
Bearpark, M.J.1
Robb, M.A.2
Schlegel, H.B.3
-
7
-
-
2342640223
-
-
Dallos, M.; Lischka, H.; Shepard, R.; Yarkony, D. R.; Szalay, P. G. J. Chem. Phys. 2004, 120, 7330.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 7330
-
-
Dallos, M.1
Lischka, H.2
Shepard, R.3
Yarkony, D.R.4
Szalay, P.G.5
-
8
-
-
0242417585
-
-
Migani, A.; Robb, M. A.; Olivucci, M. J. Am. Chem. Soc. 2003, 125, 2804.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 2804
-
-
Migani, A.1
Robb, M.A.2
Olivucci, M.3
-
9
-
-
0011039569
-
-
Venturini, A.; Vreven, T.; Bernardi, F.; Olivucci, M.; Robb, M. A. Organometallics 1995, 14, 4953.
-
(1995)
Organometallics
, vol.14
, pp. 4953
-
-
Venturini, A.1
Vreven, T.2
Bernardi, F.3
Olivucci, M.4
Robb, M.A.5
-
13
-
-
0036982940
-
-
(b) Ruiz, D. S.; Cenbran, A.; Garavelli, M.; Olivucci, M.; Fuss W. Photochem. Photobiol. 2002, 76, 622.
-
(2002)
Photochem. Photobiol.
, vol.76
, pp. 622
-
-
Ruiz, D.S.1
Cenbran, A.2
Garavelli, M.3
Olivucci, M.4
Fuss, W.5
-
15
-
-
0343544880
-
-
Torikai, A.; Suzuki, T.; Miyazaki, T.; Fueki, K.; Kuri, Z. J. Phys. Chem. 1971, 75, 482.
-
(1971)
J. Phys. Chem.
, vol.75
, pp. 482
-
-
Torikai, A.1
Suzuki, T.2
Miyazaki, T.3
Fueki, K.4
Kuri, Z.5
-
16
-
-
7544235769
-
-
Torikai, A.; Nakano, F.; Fueki, K.; Kuri, Z. Bull. Chem. Soc. Jpn. 1975, 48 339.
-
(1975)
Bull. Chem. Soc. Jpn.
, vol.48
, pp. 339
-
-
Torikai, A.1
Nakano, F.2
Fueki, K.3
Kuri, Z.4
-
23
-
-
27744493897
-
-
Kukura, P.; McCamant, D. W.; Yoon, S.; Wandschneider, D. B.; Mathies, R. A. Science 2005, 310, 1006.
-
(2005)
Science
, vol.310
, pp. 1006
-
-
Kukura, P.1
McCamant, D.W.2
Yoon, S.3
Wandschneider, D.B.4
Mathies, R.A.5
-
24
-
-
0041818281
-
-
Matos, M. A. R.; Miranda, M. S.; Morais, V. M. F.; Liebman, J. F. Org. Biomol. Chem. 2003, 1, 2930.
-
(2003)
F. Org. Biomol. Chem.
, vol.1
, pp. 2930
-
-
Matos, M.A.R.1
Miranda, M.S.2
Morais, V.M.F.3
Liebman, J.4
-
25
-
-
0035912403
-
-
Maçôas, E. M. S.; Fausto, R.; Lundell, J.; Pettersson, M.; Khriachtchev, L.; Räsänen, M. J. Phys. Chem. A 2001, 105, 3922.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 3922
-
-
Maçôas, E.M.S.1
Fausto, R.2
Lundell, J.3
Pettersson, M.4
Khriachtchev, L.5
Räsänen, M.6
-
27
-
-
37049116659
-
-
Compton, D. A. C.; George, W. O.; Porter, A. J. J. Chem. Soc., Perkin II 1975, 400.
-
(1975)
J. Chem. Soc., Perkin II
, vol.400
-
-
Compton, D.A.C.1
George, W.O.2
Porter, A.J.3
-
28
-
-
0001848595
-
-
Buge, H. G.; Peich, P.; Steger, E. J. Mol. Struct. 1976, 35, 175.
-
(1976)
J. Mol. Struct.
, vol.35
, pp. 175
-
-
Buge, H.G.1
Peich, P.2
Steger, E.3
-
29
-
-
37049135185
-
-
I. Elson, H.; Kemp, T. J.; Greatorex, D.; Jenkins, H. D. B. J. Chem. Soc., Faraday Trans. 1973, 69, 1402.
-
(1973)
J. Chem. Soc., Faraday Trans.
, vol.69
, pp. 1402
-
-
Elson, I.H.1
Kemp, T.J.2
Greatorex, D.3
Jenkins, H.D.B.4
-
31
-
-
0004133516
-
-
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., 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.; Cioslowski, 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.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L. M.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11.3; Gaussian, Inc.: Pittsburgh, PA. 1998.
-
(1998)
Gaussian 98, Revision A.11.3
-
-
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.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.M.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
32
-
-
0002438497
-
Multiconfigurational second-order perturbation theory
-
Advance Series in Physical Chemistry Vol. 2; Yarkony, D. R., Ed.; World Scientific: Singapore
-
Andresson, K.; Roos, B. O. Multiconfigurational second-order perturbation theory. In Modern Electronicl Structure Theory Part I; Advance Series in Physical Chemistry Vol. 2; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; p 55.
-
(1995)
Modern Electronicl Structure Theory Part I
, pp. 55
-
-
Andresson, K.1
Roos, B.O.2
-
33
-
-
0030794947
-
-
Garavelli, M.; Celani, P.; Bernardi, F.; Robb, M. A.; Olivucci, M. J. Am. Chem. Soc. 1997, 119, 6891.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 6891
-
-
Garavelli, M.1
Celani, P.2
Bernardi, F.3
Robb, M.A.4
Olivucci, M.5
-
34
-
-
0032542573
-
-
Garavelli, M.; Vreven, T.; Celani. P.; Bernardi, F.; Robb, M. A. J. Am. Chem. Soc. 1998, 120, 1285.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 1285
-
-
Garavelli, M.1
Vreven, T.2
Celani, P.3
Bernardi, F.4
Robb, M.A.5
-
36
-
-
0010777629
-
-
Oshiyama, T.; Takahashi, O.; Morihashi, K.; Kikuchi, O.; Tokumaru, K. Bull. Chem. Soc. Jpn. 1993, 66, 1622.
-
(1993)
Bull. Chem. Soc. Jpn.
, vol.66
, pp. 1622
-
-
Oshiyama, T.1
Takahashi, O.2
Morihashi, K.3
Kikuchi, O.4
Tokumaru, K.5
-
37
-
-
0010917948
-
-
Kikuchi, O.; Oshiyama, T.; Takahashi, O.; Tokumaru, K. Bull. Chem. Soc. Jpn. 1992, 65, 2267.
-
(1992)
Bull. Chem. Soc. Jpn.
, vol.65
, pp. 2267
-
-
Kikuchi, O.1
Oshiyama, T.2
Takahashi, O.3
Tokumaru, K.4
-
38
-
-
33751328332
-
-
Manuscript in preparation
-
Sumita, M.; Saito, K. Manuscript in preparation.
-
-
-
Sumita, M.1
Saito, K.2
-
39
-
-
2342474255
-
-
Bischof, G. J.; Xantheas, S. S.; Ruedenberg, K. J. Chem. Phys. 1991, 95, 1862.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 1862
-
-
Bischof, G.J.1
Xantheas, S.S.2
Ruedenberg, K.3
|