Variational transition-state theory study of the atmospheric reaction OH + O3 → HO2 + O2

International Journal of Chemical Kinetics

Volumn 39, Issue 3, 2007, Pages 148-153

  Ju, Li Ping ^a   Han, Ki Li ^a   Varandas, António J C ^b  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC CHEMISTRY; OXYGEN; POTENTIAL ENERGY; RATE CONSTANTS;

AB INITIO CALCULATIONS; MANY-BODY EXPANSION; TUNNELING EFFECTS;

REACTION KINETICS;

EID: 33847757155     PISSN: 05388066     EISSN: 10974601     Source Type: Journal    
DOI: 10.1002/kin.20226     Document Type: Article

References (27)

1. Kurylo, M. J.; Orkin, V. L. Chem Rev 2003, 103, 5049.
2. Zahniser, M. S.; Howard, C. J. J Chem Phys 1980, 73, 1620.
3. Kurylo, M. J. Chem Phys Lett 1973, 23, 467.
4. Anderson, J. G.; Kaufman, F. Chem Phys Lett 1973, 19, 483.
5. Ravishankara, A. R.; Wine, P. H.; Langford, A. O. J Chem Phys 1979, 70, 984.
6. Fischer, S.; Davies, D. D. In Ravishankara, A. R.; Wine, P. H.; Langford, A. O. J Chem Phys 1979, 70, 984.
7. Smith, C. A.; Molina, L. T.; Lamb, J. J.; Molina, M. J. Int J Chem Kinet 1984, 16, 41.
8. Simonaitis, R.; Heicklen, J. J Phys Chem 1973, 77, 1932.
9. DeMore, W. B.; Tschuikow-Roux, E. J Phys Chem 1974, 78, 1447.
10. DeMore, W. B. J Phys Chem 1979, 83, 1113.
11. Atkinson, R.; Baulch, D. L.; Cox, R. A.; Hampson, R. F., Jr.; Kerr, J. A.; Troe, J. J Phys Chem Ref Data 1992, 21, 1125.
12. Varandas, A. J. C.; Zhang, L. Chem Phys Lett 2000, 331, 474.
13. Varandas, A. J. C.; Zhang, L. Chem Phys Lett 2001, 340, 62.
14. Zhang, L.; Varandas, A. J. C. Phys Chem Chem Phys 2001, 3, 1439.
15. Peiró-Garciá, J.; Nebot-Gil, L. Chem Phys Chem 2003, 4, 843.
16. Varandas, A. J. C. In Conical Intersections: Electronic Structure, Dynamics and Spectroscopy; Yarkony, D.; Koppel, H.; Domcke, W. (Eds.); World Scientific Publishing: Singapore; 2004; Ch. 5.
17. Skodje, R. T.; Truhlar, D. G.; Garrett, B. C. J Phys Chem 1981, 85, 3019.
18. Truhlar, D. G.; Isaacson, A. D.; Skodje, R. T.; Garrett, B. C. J Phys Chem 1982, 86, 2252.
19. Truhlar, D. G.; Garrett, B. C. Annu Rev Phys Chem 1984, 35, 159.
20. Truhlar, D. G.; Isaacson, A. D.; Garrett, B. C. In Theory of Chemical Reaction Dynamics; Baer, M. (Ed.), Chemical Rubber: Boca Raton, FL; 1985.
21. Truhlar, D. G.; Garrett, B. C. J Chem Phys 1987, 84, 365.
22. Liu, Y.-P; Lynch, G. C.; Truong, T. N.; Lu, D.-h.; Truhlar, D. G. J Am Chem Soc 1993, 115, 2408.
23. Pollak, E.; Pechukas, P. J Am Chem Soc 1978, 100, 2984.
24. Jackels, C. F.; Gu, Z.; Truhlar, D. G. J Chem Phys 1995, 102, 3188.
25. Nguyen, K. A.; Jackels, C. F.; Truhlar, D. G. J Chem Phys 1996, 104, 6491.
26. Chuang, Y.-Y.; Truhlar, D. G. J Chem Phys 1997, 107, 83.
27. Corchado, J. C.; Chuang, Y.-Y.; Fast, P. L.; Villà, J.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.; Nguyen, K. A.; Jackels, C. F.; Melissas, V. S.; Lynch, B. J.; Rossi, I.; Coitiño, E. L.; Fernandez-Ramos, A.; Pu, J. Z.; Albu, T. V.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G. POLYRATE, Version 9.1; University of Minnesota: Minneapolis; 2002.