Diabatic and adiabatic potential-energy surfaces for azomethane photochemistry

Theoretical Chemistry Accounts

Volumn 103, Issue 5, 2000, Pages 390-398

  Cattaneo, Paola ^a   Persico, Maurizio ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

Azomethane; Conical intersections; Diabatic states; Photochemistry; Potential energy surfaces

Indexed keywords

EID: 0034384041     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002149900045     Document Type: Article

References (35)

1. Engel PS (1980) Chem Rev 80: 99
2. Burton KA, Weisman RB (1990) J Am Chem Soc 112:1804
3. Andrews BK, Burton KA, Weisman RB (1992) J Chem Phys 96: 1111
4. North SW, Longfellow CA, Lee YT (1993) J Chem Phys 99: 4423
5. Fairbrother DH, Dickens KA, Stair PC, Weitz E (1995) Chem Phys Lett 246: 513
6. Tully JC (1990) J Chem Phys 93: 1061
7. Ferretti A, Granucci G, Lami A, Persico M, Villani G (1996) J Chem Phys 104: 5517
8. Pacher T, Cederbaum LS, Köppel H (1993) Adv Chem Phys 84: 293
9. Persico M (1998) In: Schleyer PvR, Allinger NL, Clark T, Gasteiger J, Kollman PA, Schaefer HF III, Schreiner PR (eds) Encyclopedia of computational chemistry. Wiley, Chichester, p 852
10. Liu R, Cui Q, Dunn KM, Morokuma K (1996) J Chem Phys 105: 2333
11. Cattaneo P, Persico M (1997) Chem Phys 214: 49
12. Cattaneo P, Persico M (1998) Chem Phys Lett 289: 160
13. Huron B, Malrieu J-P, Rancurel P (1973) J Chem Phys 58: 5745
14. Cimiraglia R (1985) J Chem Phys 83: 1746
15. Cimiraglia R (1996) Int J Quantum Chem 60: 167
16. Angeli C, Cimiraglia R, Persico M, Toniolo A (1997) Theor Chem Acc 98: 57
17. Angeli C, Persico M (1997) Theor Chem Acc 98: 117
18. The version of the CIPSI package implemented by the Pisa and Ferrara research groups is available at the internet site www.dcci.unipi.it/Software.html
19. Persico M (1985) In: Rostas F (ed) Spectral line shapes, vol. 3. De Gruyter, Berlin, pp 587-613
20. Cimiraglia R, Malrieu J-P, Persico M, Spiegelmann F (1985) J Phys B 18: 3073
21. Hariharan PC, Pople JA (1973) Theor Chim Acta 28: 213
22. Dupuis M, Marquez A, Davidson ER (1995) HONDO95.3 form CHEM-station. IBM Corporation, Kingston, N.Y.
23. Krishnan R, Binkley JS, Seeger R, Pople JA (1980) J Chem Phys 72: 650
24. Angeli C, Cimiraglia R, Persico M, (1998) Theor Chem Acc 100: 324
25. Thompson AM, Goswami PC, Zimmermann GL (1979) J Phys Chem 83: 314
26. Engel PS (1976) J Am Chem Soc 98: 1972
27. Hu C-H, Schaefer HF III (1995) J Phys Chem 99: 7507
28. Vrábel I, Biskupič S, Staško A (1997) Theor Chem Acc 95: 201
29. Pamidimukkala KM, Rogers D, Skinner GB (1982) J Phys Chem Ref Data 11: 83
30. Hu C-H, Schaefer HF III (1994) J Chem Phys 101: 1289
31. Ács G, Péter A (1987) Int J Chem Kinet 19: 929
32. Almemingen A, Anfinsen IM, Haaland A (1970) Acta Chem Scand 24: 1230
33. Chang CH, Porter RF, Bauer SH (1970) J Am Chem Soc 92: 5313
34. Stevens JF, Curl RF, Engel PS (1979) J Phys Chem 83: 1432
35. Huber KP, Herzberg G ( 1979) Constants of diatomic molecules. Van Nostrand, New York