Ab initio MRD-CI study of excited states of chloromethanol ClCH2OH and photofragmentation along C-O and C-Cl cleavage

Chemical Physics Letters

Volumn 344, Issue 5-6, 2001, Pages 519-526

  Schnell, Melanie ^a   Mühlhäuser, Max ^a   Peyerimhoff, Sigrid D ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000092655     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)00817-X     Document Type: Article

References (24)

1. Anderson J.G., Tooley D.W., Brune W.H. Science. 251:1991;39.
2. Solomon S. Nature. 347:1990;347.
3. Simone F.G., Burrows J.P., Schneider W., Moortgat G.K., Crutzen P.J. J. Phys. Chem. 93:1989;7808.
4. Crutzen P.J., Müller R., Brühl C., Peter T. Geophys. Res. Lett. 19(11):1972;1113.
5. Crowley J.N., Campuzano-Jost P., Moortgat G.K. J. Phys. Chem. 1000:1996;3601.
6. Li Y., Francisco J.S. J. Phys. Chem. 111:1999;8384.
7. He T.-J., Chen D.-M., Liu F.-C., Sheng L.-S. Chem. Phys. Lett. 332:2000;545.
8. Jungkamp T.P.W., Kirchner U., Schmidt M., Schindler R.N. J. Photochem. Photobiol. A Chem. 91:1995;1.
9. M. Mühlhäuser, M. Schnell, S.D. Peyerimhoff, Mol. Phys. (2001), in press.
10. MOLPRO 2000 is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from R.D. Amos et al.
11. Poirierer R., Kari R., Csizmadia I. Handbook of Gaussian Basis Sets. 1985;225 Elsevier, Amsterdam. (Nr. 6.59.4).
12. Hanrath M., Engels B. Chem. Phys. 225:1997;197.
13. M. Hanrath, this laboratory.
14. Buenker R.J., Peyerimhoff S.D. Theor. Chim. Acta. 35:1974;33.
15. Buenker R.J., Peyerimhoff S.D. Theor. Chim. Acta. 39:1975;217.
16. Frisch M.J.et al. GAUSSIAN 98. 1999;Gaussian Inc, Pittsburgh, PA.
17. Saebø S., Radom L., Schaefer H.F. III J. Chem. Phys. 78(2):1983;845.
18. K.P. Huber, G. Herzberg, Constants of Diatomic Molecules, Molecular Spectra and Molecular Structure, vol. IV, Van Nostrand Reinhold, New York, 1979.
19. Wang B., Hou H., Gu Y. J. Phys. Chem. 103(3):1999;2060.
20. Johnson R.D. III, Hudgens J.W. J. Phys. Chem. 100:1996;19874.
21. Schneider W.F., Nance B.I., Wallington T.J. J. Am. Chem. Soc. 117:1995;478.
22. Omoto K., Marusani K., Hirao H., Imade M., Fujimoto H. J. Phys. Chem. A. 104:2000;6499.
23. Barnes R.J., Lock M., Coleman J., Sinha A. J. Phys. Chem. 100:1996;453.
24. Pagsberg P., Munk J., Sillesen A., Anastasi C. Chem. Phys. Lett. 146(5):1988;375.