Computational study on the reactions of XO (X = F, Cl and Br) with CH3SO and CH3SO2

Journal of Molecular Structure: THEOCHEM

Volumn 870, Issue 1-3, 2008, Pages 53-60

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

^a HEBEI NORMAL UNIVERSITY   (China)

Author keywords

Reaction mechanism; The structure transition region; Topological analysis of electronic density

Indexed keywords

EID: 55949111332     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.09.004     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. In: Restelli G., and Angeletti G. (Eds). Dimethysulphide: Oceans, Atomsphere 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) 171
6. Dominé F., Ravishankara A.R., and Howard C.J. J. Phys. Chem. 96 (1992) 2171
7. Kukui A., Bossoutrot V., Laverdet G., and Bras G.L. J. Phys. Chem. A 104 (2000) 935
8. Li X.Y., Meng L.P., and Zheng S.J. J. Mol. Struct. (THEOCHEM) 775 (2005) 101
9. Borissenko D., Kukui A., Laverdet G., and Bras G.L. J. Phys. Chem. A 107 (2003) 1155
10. Jensen N.R., Hjorth J., Lohse C., Skov H., and Restelli G. J. Atmos. Chem. 14 (1992) 95
11. Wang D.X., and Jiang P. J. Phys. Chem. A 100 (1996) 1283
12. Mao G.F., Yao L., and Wang D.X. J. Phys. Chem. A 111 (2007) 13425
13. Ishida G., Morokuma K., and Komornicki A. J. Chem. Phys. 66 (1977) 2153
14. García G., Lafont G., and Lluch J.M. J. Comput. Chem. 26 (2005) 569
15. Aloisio S. Chem. Phys. 326 (2006) 335
16. El-Nahas A.M., Uchimaru T., Sugie M., Tokuhashi K., and Sekiya A. J. Mol. Struct. (THEOCHEM) 72 (2005) 9
17. 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.
18. F.J. Biegler-Kônìng, R. Derdau, D. Bayles, R.F. W. Bader, AIM2000, Version 1, 2000.
19. Zheng S.J., Cai X.H., and Meng L.P. QCPE Bull. 15 (1995) 25
20. Bader R.F.W., Tang T.-H., Tal Y., and Biegler-könig F.W. J. Am. Chem. Soc. 104 (1982) 946
21. ziolkowski M., Grabowski S.J., and Leszczynski J. J. Phys. Chem. A. 110 (2006) 6514
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