A theoretical analysis of the reaction of h with C2H5

Symposium (International) on Combustion

Volumn 27, Issue 1, 1998, Pages 151-157

  Harding, Lawrence B ^a   Klippenstein, Stephen J ^b  

^a ARGONNE NATIONAL LABORATORY   (United States)

^b CASE WESTERN RESERVE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; COMPUTATIONAL METHODS; HYDROCARBONS; RATE CONSTANTS; THERMAL EFFECTS;

TRANSITION STATE THEORY;

COMBUSTION;

EID: 0032277174     PISSN: 00820784     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0082-0784(98)80400-1     Document Type: Conference Paper

References (22)

1. Halstead, M. P., Leathard, D. A., Marshall, R. M., and Purnell, J. H., Proc. R. Soc. London, Ser. A, 316:575-591 (1970).
2. Teng, L. and Jones, W. E., J. Chem. Soc. Faraday Trans. 1, 68:1267-1277 (1972).
3. Michael, J. V., Osborne, D. T., and Suess, G. N., J. Chem. Phys. 58:2800-2806 (1973).
4. Camilleri, P., Marshall, R. M., and Purnell, J. H., J. Chem. Soc. Faraday Trans. 1, 70:1434-1444 (1974).
5. Pratt, G. and Veltman, I., J. Chem. Soc. Faraday Trans. 1, 70:1840-1850 (1974);
6. Pratt, G. and Veltman, I., J. Chem. Soc. Faraday Trans. 1, 72:1733-1737 (1976).
7. Tabayashi, K. and Bauer, S. H., Combust. Flame, 34:63-83 (1979).
8. Pratt, G. and Wood, S. W., J. Chem. Soc. Faraday Trans. 1, 80:3419-3427 (1984).
9. Sillesen, A., Ratajczak, E., and Pagsberg, P., Chem. Phys. Lett. 201:171-177 (1993).
10. Dunning Jr., T. H., J. Chem. Phys. 90:1007-1023 (1989).
11. Kendall, R. A., Dunning Jr., T. H., and Harrison, R. J., J. Chem. Phys. 96:6796-6806 (1992).
12. Woon, D. E. and Dunning Jr., T. H., J. Chem. Phys. 98:1358-1371 (1993).
13. Shepard, R., Shavitt, I., Pitzer, R. M., Comeau, D. C., Pepper, M., Lischka, H., Szalay, P. G., Ahlrichs, R., Brown, F. B., and Zhao, J.-G., Int. J. Quantum Chem. S22:149-165 (1988).
14. Klippenstein, S. J., Chem. Phys. Lett. 170:71-77 (1990);
15. J. Chem. Phys. 94:6469-6482 (1991); 96:367 (1992);
16. Klippenstein, S. J., J. Phys. Chem. 98:11459-11464 (1994).
17. Wardlaw, D. M. and Marcus, R. A., Chem. Phys. Lett. 110:230 (1984);
18. J. Chem. Phys. 83:3462-3480 (1985);
19. J. Phys. Chem. 90:5383-5393 (1986);
20. Adv. Chem. Phys. I 70:231 (1988).
21. Hase, W. L., Schlegel, H. B., Balbyshev, V., and Page, M., J. Phys. Chem. 100:5354-5361 (1996);
22. Warnatz, J, in Combustion Chemistry (W. C. Gardiner, Jr., ed.), Springer, Berlin, 1984, ch. 5.