Energetics of mechanism of OH-propene reaction at low pressures in inert atmosphere

Journal of Computational Chemistry

Volumn 19, Issue 8, 1998, Pages 811-819

  Alvarez Idaboy, J Raúl ^a   Díaz Acosta, Irina ^b   Vivier Bunge, Annik ^b  

^a UNIVERSITY OF HAVANA   (Cuba)

^b UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

Author keywords

Alkenes; Atmospheric reactions; Hydroxyl radical; OH addition; Reaction mechanism

Indexed keywords

EID: 0001287689     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199806)19:8<811::AID-JCC1>3.0.CO;2-S     Document Type: Article

References (22)

1. B. J. Finlayson-Pitts and N. Pitts, Atmospheric Chemistry: Fundamentals and Experimental Techniques, Wiley-Interscience, New York, 1986, p. 406.
2. D. L. Singleton and R. J. Cvetanovic, J. Am. Chem. Soc., 98, 6812 (1976).
3. M. Mozurkewich and S. W. Benson, J. Phys. Chem., 88, 6429 (1984).
4. (a) M. Mozurkewich, J. J. Lamb, and S. W. Benson, J. Phys. Chem., 88, 6435 (1984);
5. (b) J. J. Lamb, M. Mozurkewich, and S. W. Benson, J. Phys. Chem., 88, 6441 (1984).
6. (a) R. Atkinson, Chem. Rev., 85, 69 (1985);
7. (b) R. Atkinson, J. Phys. Chem. Ref. Data, 26, 521 (1997).
8. C. Sosa and H. B. Schlegel, J. Am. Chem. Soc., 109, 4193 (1987).
9. F. Delbecq, D. Ilavsky, N. T. Anh, and J. M. Lefour, J. Am. Chem. Soc., 107, 1623 (1985).
10. F. M. Bowman and J. H. Seinfeld, J. Geophys. Res., 99, 5309 (1994).
11. R. J. Cvetanovic, 12th International Symposium on Free Radicals, Laguna Beach, CA, 1976.
12. I. Diaz Acosta, J. R. Alvarez-Idaboy, and A. Vivier-Bunge, Article presented at the 9th International Congress of Quantum Chemistry, Atlanta, GA, 1997 [submitted Int. J. Chem. Kinet.].
13. I. Diaz Acosta, J. R. Alvarez-Idaboy, and A. Vivier-Bunge, Article presented at the 9th International Congress of Quantum Chemistry, Atlanta, GA, 1997 [submitted Int. J. Chem. Kinet.].
14. M. Bartels, K. Hoyermann, and R. Sievert, Symp. (Int.) Combust., 19, 61 (1982).
15. (a) R. Atkinson, Atmos. Env., 24A, 1 (1990);
16. (b) R. Atkinson, D. L. Baulch, R. A. Cox, R. F. Hampson, Jr., J. A. Ker, and J. Troe, J. Phys. Chem. Ref. Data, 18, 881 (1989).
17. R. Zellner and K. Lorenz, J. Phys. Chem., 88, 984 (1984).
18. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian 94, Gaussian, Inc., Pittsburgh, PA, 1995.
19. J. R. Alvarez-Idaboy, L. A. Eriksson, and S. Lunell, J. Phys. Chem., 97, 12743 (1993).
20. S. F. Boys and F. Bernardi, Mol. Phys., 19, 553 (1970).
21. D. W. Schwenke and D. G. Truhlar, J. Chem. Phys., 82, 2418 (1985).
22. M. J. Frisch, J. E. Delbene, and H. F. Schaefer III, J. Chem. Phys., 84, 2279 (1986).