Theoretical studies on the reactions of NO2 with CH3SO, CH3SS, CH3SO2 and CH3S(S)O

Journal of Molecular Structure: THEOCHEM

Volumn 775, Issue 1-3, 2006, Pages 101-106

  Li, Xiaoyan ^a,b   Meng, Lingpeng ^b   Zheng, Shijun ^b  

^a UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^b HEBEI NORMAL UNIVERSITY   (China)

Author keywords

CH3SxOy radical; NO2; Reaction mechanism; Topological analysis of electronic density

Indexed keywords

EID: 33748978972     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.07.026     Document Type: Article

References (23)

1. Bates T.S., Lamb B.K., Guenther A., Dignon J., and Stoiber R.E. J. Atmos. Chem. 315 (1992) 14
2. Charlson R.J., Lovelock J.E., Andreae M.O., and Warren S.G. Nature 326 (1987) 655
3. Barone S.B., Turnipseed A.A., and Racishankara A.R. Faraday Discuss. 100 (1995) 39
4. Turnipseed A.A., and Ravishankara A.R. The atmospheric oxidation of dimethyl sulfide: elementary steps in a complex mechanism. In: Restelli G., and Angeletti G. (Eds). Dimethysulphide: Oceans Atmosphere and Climate (1993), Kulwer Academic, Dordrecht 185
5. Ravishankara A.R., Rudich Y., Talukdar T., and Barone S.B. Philos. Trans. R. Soc. Lond. B 352 (1997) 71
6. Butkovskaya N.I., and Le Bras G. J. Phys. Chem. 98 (1994) 2582
7. Turnipessd A.A., Barone S.B., and Ravishankara A.R. J. Phys. Chem. 97 (1993) 5926
8. Domine F., Ravishankara A.R., and Howard C.J. J. Phys. Chem. 96 (1992) 7502
9. Domine F., Rmurrells T.P., and Howard C.J. J. Phys. Chem. 94 (1990) 5839
10. Kukui A., Bossoutrot V., Laverdet G., and Le Bras G. J. Phys. Chem. A 104 (2000) 935
11. Borrissenko D., Kukui A., Laverdet G., and Le Bras G. J. Phys. Chem. A 107 (2003) 1155
12. Becke A.D. J. Chem. Phys. 98 (1993) 5648
13. Lee C., Yang W., and Parr R.G. Phys. Rev. B37 (1988) 785
14. Moller C., and Plesset M.S. Phys. Rev. 46 (1934) 618
15. Ishida G., Morokuma K., and Komornicki A. J. Chem. Phys. 66 (1977) 2153
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M.Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S.Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian Inc., Pittsburgh, PA, 1998.
17. Zheng S.J., Cai X.H., and Meng L.P. QCPE Bull. 15 (1995) 25
18. Fukui K., Kato S., and Fujimoto H. J. Am. Chem. Soc. 97 (1975) 1
19. Stanton R.E., and McIver J.W. J. Am. Chem. Soc. 97 (1975) 3632
20. Gonzalez C., and Schlegel H.B. J. Chem. Phys. 90 (1989) 2154
21. Gonzalez C., and Schlegel H.B. J. Phys. Chem. 94 (1990) 5523
22. Bader R.F.W. Atoms in Molecules - A Quantum Theory (1990), Oxford University Press, Oxford
23. Bader R.F.W. Chem. Rev. 91 (1991) 893