Ab initio study of the reaction mechanism between NH 2(X̃ 2B 1) and C 2H 4

Acta Chimica Sinica

Volumn 59, Issue 4, 2001, Pages 486-491

  Yang, Guang Hui ^a   Zhang, Hong Xing ^a   Tang, Ao Qing ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Ab initio calculation; C 2H 4; NH 2(X 2B 1); Reaction mechanism

Indexed keywords

EID: 0442326382     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (11)

1. (a) Kaye, J. A.; Stobel, D.F. Icarus., 1983, 54, 417.
2. (b) Strobel, D. F. Int. Rev. Phys. Chem., 1983, 3, 145.
3. Khe, P.; Lesclaux, R. J. Chem. Phys., 1979, 83, 119.
4. Hack, W.; Schake, H.; Schrǒter, M.; Wagner, H. G. 17th Symposium on Combustion (International), 1979, p. 505.
5. Hack, W.; Schake, H.; Schrǒter, M.; Wagner, H. G. Ber. Bunsenges. Phys. Chem., 1982, 86, 326.
6. Lesclaux, R.; Veyret, B.; Roussel, P. Ber. Bunsenges. Phys. Chem., 1985, 89, 330.
7. Hennig, G.; Wagner, H. G. Ber. Bunsenges. Phys. Chem., 1995, 99, 989.
8. Moller, C.; Plesset, M. S. Phys. Rev., 1934, 46, 618.
9. Hahre, W. J.; Radom, L.; Schleyer, P. V. R.; Pople, J. A. In Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
10. Ishida, K. Morokuma, K. Komornicki, A. J. Chem. Phys., 1977, 66, 2153.
11. Steckler, R.; Chuang, Y. - Y.; Fast, P. L.; Coitino, E. L.; Corchado, J. C.; Hu, W. - P.; Liu, Y. - P.; Lynch, G. C.; Nguyen, K. A.; Jaclels, C. F.; Gu, M. Z.; Rossi, I.; Clayton, S.; Melissas, V. S.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G. POLYRATE 7.4, University of Minnesota, Minneapolis, 1997.