An ab initio study of the excited states of the vinoxy radical

Chemical Physics Letters

Volumn 425, Issue 4-6, 2006, Pages 225-228

  Piechowska Strumik, Katarzyna ^a,b   Bacchus Montabonel, Marie Christine ^a   Tergiman, Yvette Suzanne ^a   Sienkiewicz, Jozef E ^b  

^a UNIVERSITÉ LYON 1   (France)

^b GDANSK UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ELEMENTS; ELECTRON ENERGY LEVELS; PHOTODISSOCIATION;

CONICAL INTERSECTION; QUASIDIABATIC SCHEME; VINOXY RADICALS;

POTENTIAL ENERGY;

EID: 33745169008     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.05.049     Document Type: Article

References (22)

1. Schmoltner A.M., Chu P.M., Brudzynski R.J., and Lee Y.T. J. Chem. Phys. 91 (1989) 6926
2. Donaldson D.J., Okuda I.V., and Sloan J.J. Chem. Phys. 193 (1995) 37
3. Osborn D.L., Choi H., Mordaunt D.H., Bise R.T., Neumark D.M., and Rohlfing C.M. J. Chem. Phys. 106 (1997) 3049
4. Su H., and Bersohn R. J. Chem. Phys. 115 (2001) 217
5. Nagai H., Carter R.T., and Huber J.R. Chem. Phys. Lett. 331 (2000) 425
6. Morton M.L., Szpunar D.E., and Butler L.J. J. Chem. Phys. 115 (2001) 204
7. Krisch M.J., Miller L.J., Butler L.J., Su H., Bersohn R., and Shu J. J. Chem. Phys. 119 (2003) 176
8. Miller J.L., McCunn L.R., Krisch M.J., Butler L.J., and Shu J. J. Chem. Phys. 121 (2004) 1830
9. Yamaguchi M., Momose T., and Shida T. J. Chem. Phys. 93 (1990) 4211
10. Yamaguchi M. Chem. Phys. Lett. 221 (1994) 531
11. Matsika S., and Yarkony D. J. Chem. Phys. 117 (2002) 7198
12. Young Jr. R.A., and Yarkony D.R. J. Chem. Phys. 123 (2005) 084315-1
13. DiMauro L.F., Heaven M., and Miller T.A. J. Chem. Phys. 81 (1984) 2339
14. Molpro is a package of ab initio programs written by H.J. Werner and P.J. Knowles with contributions from R.D. Amos, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Leininger, R. Lindh, A.W. Lloyd, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, K. Peterson, R. Pitzer, P. Pulay, G. Rauhut, M. Schütz, H. Stoll, A.J. Stone and T. Thorsteinsson.
15. Dunning T.H. J. Chem. Phys. 90 (1989) 1007
16. Woon D.E., and Dunning T.H. J. Chem. Phys. 100 (1994) 2975
17. Bacchus-Montabonel M.C., Vaeck N., Lasorne B., and Desouter-Lecomte M. Chem. Phys. Lett. 374 (2003) 307
18. Simah D., Hartke B., and Werner H.-J. J. Chem. Phys. 111 (1999) 4523
19. Hunzinker H.E., Kneppe H., and Wendt H.R. J. Photochem. 17 (1981) 377
20. Pople J.A., Binkley J.S., and Seeger R. Int. J. Quant. Chem., Quant. Chem. Symp. S11 (1977) 149
21. Yarkony D.R. J. Phys. Chem. 105 (2001) 6277
22. Yarkony D.R. J. Phys. Chem. A 101 (1997) 4263