Following reaction paths in organic photochemistry: The special role of surface crossings

Pure and Applied Chemistry

Volumn 67, Issue 1, 1995, Pages 17-24

  Bernardi, Fernando ^a   Olivucci, Massimo ^a   Robb, Michael A ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b KING'S COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002084313     PISSN: 00334545     EISSN: 13653075     Source Type: Journal    
DOI: 10.1351/pac199567010017     Document Type: Article

References (15)

1. A.Gilbert and J. Baggott. Essentials of Molecular Photochemistry,Blackwell, London (1991); (b) J.Michl and V.Bonacic-Koutecky.Electronic Aspects of Organic Photochemistry, Wiley, Newyork, 1990.
2. L.Salem. Electrons in Chemical Reactions: First Principles. p.149-151, Wiley, NewYork(1982)
3. I.N.Ragazos, M.A.Robb, F.Bernardi and M.Olivucci.Chem.Phys.Lett.197, 217(1992)
4. G.J. Atchity, S.S. Xantheas and K. Ruedenberg.J.Chem.Phys. 95, 1862 (1991)
5. D.R.Yarkoni.J.Phys.Chem. 97, 4407(1993)
6. F.Bernardi, S.De, M.Olivucci and M.A.Robb J.Am.Chem.Soc. 112, 1737 (1990); (b) F.Bernardi, A.Bottoni, M.Olivucci, A.Venturini and M.A.Robb. J.Chem.Soc.Faraday Trans. 1617(1994).
7. M. Olivucci, I.N. Ragazos, F. Bernardi and M.A. Robb. J.Am.Chem.Soc. 115, 3710 (1993); (b) M. Olivucci, F. Bernardi, S. Ottani and M.A. Robb. J.Am.Chem.Soc. 116, 2034 (1994).
8. M.Reguero, M.Olivucci, F.Bernardi and M.A.Robb. J.Am.chem.Soc. 116, 2103(1994).
9. R.H.A. Eade and M.A. Robb. Chem.Phys.Lett. 83, 362 (1981).
10. GAUSSIAN 92, Revision B, M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill,M.W. Wong, J. B. ForesmanB.G. Johnson, H.B. Schlegel, M.A. Robb,E.S. Replogle,R. Gompetrs,J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzales, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart and J.A. Pople, Gaussian Inc, Pittsburgh PA, 1992.
11. H. Yamazaki and R.J. Cvetanovic, J.Am.Chem.Soc. 91, 520(1969).
12. W.T.A.M. Van der Lugt and L.J. Oosteroff. J.Am.Chem.Soc. 91, 6042 (1969).
13. M.O. Trulson and R.A. Mathies, J.Phys.Chem. 94, 5741(1990).
14. J.F. Graf and P. Lillya. Mol.Photochem. 9, 227(1979)
15. L.E. Friedrich and G.B. Suster. J.Am.Chem.Soc. 91, 7204(1969). (b) L.E. Friedrich and G.B.Shuster. J.Am.Chem.Soc. 94, 1193(1972).