An ab initio study of the pathways for the reaction between CH3O2 and BrO radicals

Journal of Chemical Physics

Volumn 118, Issue 4, 2003, Pages 1779-1793

  Guha, Sujata ^a   Francisco, Joseph S ^a,b  

^a PURDUE UNIVERSITY   (United States)

^b PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE COMPOUNDS; DISSOCIATION; FLUORESCENCE; FREE RADICALS; HYDROCARBONS; LASER APPLICATIONS; MASS SPECTROMETRY; MOLECULAR ORIENTATION; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS;

BROMINE MONOXIDE; LASER INDUCED FLUORESCENCE; METHYLPEROXY; QUADRATIC CONFIGURATION INTERACTION METHOD;

MOLECULAR DYNAMICS;

EID: 0037460287     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1531099     Document Type: Article

References (18)

1. J. G. Anderson, D. W. Toohey, and W. H. Brune, Science 251, 39 (1991).
2. R. J. Salawitch, M. B. McElroy, J. H. Yatteau et al., Geophys. Res. Lett. 17, 561 (1990).
3. G. Poulet, M. Pirre, F. Maguin, R. Ramaroson, and G. Le Brass, Geophys. Res. Lett. 19, 2305 (1992).
4. M. Larichev, F. Maguin, G. Le Bras, and G. Poulet, J. Phys. Chem. 99, 15911 (1995).
5. A. Aranda, G. G. Le Bras, G. Laverdet, and G. Poulet, Geophys. Res. Lett. 24, 2745 (1997).
6. W. B. De More, S. P. Sander, D. M. P. Golden, R. F. Hampson, M. J. Kurylo, C. J. Howard, A. R. Ravishankara, C. E. Kolb, and M. J. Molina, Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling, JPL Publication (Jet Propulsion Laboratory, Pasadena, CA, 1997).
7. D. J. Lary and R. J. Toumi, Geophys. Res. Lett. 102, 23421 (1997).
8. F. Helleis, J. N. Crowley, and G. K. Moortgat, Geophys. Res. Lett. 21, 1795 (1994).
9. P. J. Crutzen, R. Muller, C. Bruhl, and T. Peter, Geophys. Res. Lett. 19, 1113 (1992).
10. S. Guha, S. Y. Li, and J. S. Francisco, Chem. Phys. Lett. 330, 195 (2002).
11. S. Guha, J. S. Francisco, J. Phys. Chem. A 104, 3239 (2000).
12. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian 94, Revision D.2, Gaussian, Inc., Pittsburgh, PA, 1995.
13. J. A. Pople, M. Head-Gordon, and K. Raghavachari J. Chem. Phys. 87, 5968 (1987).
14. S. Guha and J. S. Francisco, J. Phys. Chem. A 103, 8000 (1999).
15. S. Guha and J. S. Francisco, J. Phys. Chem. A 104, 9321 (2000).
16. D. L. Baulch, R. A. Cox, R. F. Hampson, Jr., J. A. Kerr, J. Troe, and R. T. Watson, J. Phys. Chem. Ref. Data 13, 1259 (1984).
17. S. Guha and J. S. Francisco, Chem. Phys. Lett. 319, 650 (2000).
18. S. Guha and J. S. Francisco, J. Phys. Chem. 101, 5347 (1997).