AIM studies on SSHX → HSSX (X = F, Cl, Br, I) reaction

Journal of Molecular Structure: THEOCHEM

Volumn 851, Issue 1-3, 2008, Pages 115-120

  Zeng, Yanli ^a   Li, Xiaoyan ^a,b   Zhang, Xueying ^a   Zheng, Shijun ^a   Meng, Lingpeng ^a  

^a HEBEI NORMAL UNIVERSITY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Reaction pathway; Structure transition region (STR); Structure transition state (STS); Topological analysis of electron density

Indexed keywords

EID: 38749097740     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.11.011     Document Type: Article

References (33)

1. Kurney G.W., and Turnbull K. Chem. Rev. 82 (1982) 333
2. Grabowski J.J., and Zhang L. J. Am. Chem. Soc. 111 (1989) 1193
3. Cao X.Y., Qiao C.H., and Wang D.X. Chem. Phys. Lett. 290 (1998) 405
4. Cao X.Y., Qian X.M., Qiao C.H., and Wang D.X. Chem. Phys. Lett. 299 (1999) 322
5. Dobado J.A., Martínez-García H., Molina J.M., and Sundberg M.R. J. Am. Chem. Soc. 121 (1999) 3156
6. Steudel R., Drozdova Y., Miaskiewicz K., Hertwig R.H., and Koch W. J. Am. Chem. Soc. 119 (1997) 1990
7. Chattaraj P.K., Pérez P., Zevallos J., and Toro-Labbé A. J. Mol. Struct. THEOCHEM 580 (2002) 171
8. Mestres J., Forés M., and Solà M. J. Mol. Struct. THEOCHEM 455 (1998) 123
9. Ball D.W. J. Mol. Struct. THEOCHEM 676 (2004) 15
10. Gerbaux P., Salpin J.-Y., Bouchouxb G., and Flammang R. Int. J. Mass Spectrom. 195/196 (2000) 239
11. Altmann J.A., and Handy A.C. Phys. Chem. Chem. Phys. 1 (1999) 5529
12. Bickelhaupt F.M., Sola M., von P., and Schleyer R. J. Comput. Chem. 16 (1995) 465
13. Bader R.F.W. Atoms in Molecules - A Quantum Theory (1990), Oxford University Press, Oxford
14. Popelier P. Atoms in Molecules - An Introduction (2000), UMIST, Manchester, UK
15. Bader R.F.W., Nguyen-Dang T.T., and Tal Y. J. Chem. Phys. 70 9 (1979) 4316
16. Tal Y., Bader R.F.W., and Nguyen-Dang T.T. J. Chem. Phys. 74 (1981) 5162
17. Lobayan R.M., Sosa G.L., Jubert A.H., and Peruchena N.M. J. Phys. Chem. A 108 (2004) 4347
18. Lipkowski P., Grabowski S.J., Robinson T.L., and Leszczynski J. J. Phys. Chem. A 108 (2004) 10865
19. Grabowski S.J., Sokalski W.A., Dyguda E., and Leszczynski J. J. Phys. Chem. B 110 (2006) 6444
20. Ziókowski M., Grabowski S.J., and Leszczynski J. J. Phys. Chem. A 110 (2006) 6514
21. Tang T.H., Fang D.C., Harrisona A.G., and Csizmadiaa I.G. J. Mol. Struct. THEOCHEM 675 (2004) 79
22. Znamenskiy V.S., and Green M.E. J. Phys. Chem. A 108 (2004) 6543
23. González-Moa M.J., and Mosquera R.A. J. Phys. Chem. A 109 (2005) 3682
24. Vila A., and Mosquera R.A. J. Comput. Chem. 28 (2007) 1516
25. Zheng S.J., Meng L.P., Cai X.H., Xu Z.F., and Fu X.Y. J. Comput. Chem. 18 (1997) 1167
26. Zeng Y.L., Zheng S.J., and Meng L.P. Inorg. Chem. 43 (2004) 5311
27. Li X.Y., Fan H.M., Meng L.P., Zeng Y.L., and Zheng S.J. J. Phys. Chem. A 111 (2007) 2343
28. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
29. Becke A.D. J. Chem. Phys. 98 (1993) 5648
30. Glukhovtsev M.N., Pross A., Mcgrath M.P., and Radom L. J. Chem. Phys. 103 (1995) 1878
31. Ishida K., Morokuma K., and Komornicki A. J. Chem. Phys. 66 (1977) 2153
32. M.J. Frisch et al., Gaussian 03, Revision D.01; Gaussian, Inc., Wallingford, CT, 2004.
33. F. Biegler-König, AIM 2000 version 1.0, University of Applied Science, Bielefeld, Germany, 2000.