Cl-loss and H-loss dissociations in Low-lying electronic states of the CH3Cl+ Ion studied using multiconfiguration second-order perturbation theory

Journal of Physical Chemistry A

Volumn 109, Issue 19, 2005, Pages 4381-4387

  Xi, Hong Wei ^a   Huang, Ming Bao ^a   Chen, Bo Zhen ^a   Li, Wen Zuo ^a  

^a UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE; DERIVATIVES; DISSOCIATION; HYDROGEN; ION SOURCES; METHANE; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES;

ELECTRONIC STATES; ENERGY CURVES; POTENTIAL VALUES; REACTION PATHS;

ELECTRONIC STRUCTURE;

EID: 19844369262     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050344h     Document Type: Article

References (20)

1. Eland, J. H. D.; Frey, R.; Kuestler, A.; Schulte, H.; Brehm, B. Int. J. Mass Spectrom. Ion Phys. 1976, 22, 155.
2. Werner, A. S.; Tsai, B. P.; Baer, T. J. Chem. Phys. 1974, 60, 3650.
3. Baer, T.; Werner, A. S.; Tsai, B. P.; Lin, S. F. J. Chem. Phys. 1974, 61, 5468.
4. Orth, R. G.; Dunbar, R. C. J. Chem. Phys. 1978, 68, 3254.
5. Carrington, A.; Milverton, D. R. J.; Sarre, P. J. Mol. Phys. 1976, 32, 297.
6. Lane, I. C.; Powis, I. J. Phys. Chem. 1993, 97, 5803.
7. Won, D. S.; Kim, M. S.; Choe, J. C.; Ha, T.-K. J. Chem. Phys. 2001, 115, 5454.
8. Olney, T. N.; Cooper, G.; Chan, W. F.; Burton, G. R.; Brion, C. E.; Tan, K. H. Chem. Phys. 1996, 205, 421.
9. Locht, R.; Leyh, B.; Hoxha, A.; Dehareng, D.; Hottmann, K.; Jochims, H. W.; Baumgärtel, H. Chem. Phys. 2001, 272, 293.
10. Roos, B. O. In Ab Initio Methods in Quantum Chemistry, Part 2; Lawley, K. P., Ed.; Wiley. New York, 1987.
11. Andersson, K.; Malmqvist, P.-Å.; Roos, B. O.; Sadley, A. J.; Wolinski, K. J. Phys. Chem. 1990, 94, 5483.
12. Andersson, K.; Malmqvist, P.-Å.; Roos, B. O. J. Chem. Phys. 1992, 96, 1218.
13. Locht, R.; Leyh, B.; Hoxha, A.; Dehareng, D.; Jochims, H. W.; Baumgärtel, H. Chem. Phys. 2001, 272, 277.
14. Duflot, D.; Robbe, J.-M.; Flament, J.-P. J. Chem. Phys. 1995, 103, 10571.
15. Andersson, K.; Fulscher, M. P.; Lindh, R.; Malmqvist, P.-Å.; Olsen, J.; Sadley, A. J.; Widmark, P.-O. MOLCAS, version 5.4; University of Lund: Lund, Sweden, 2002.
16. Almlöf, J.; Taylor, P. R. J. Chem. Phys. 1987, 86, 4070.
17. Widmark, P.-O.; Malmqvist, P.-Å.; Roos, B. O. Theor. Chim. Acta 1990, 77, 291.
18. Widmark, P.-O.; Persson, B.-J.; Roos, B. O. Theor. Chim. Acta 1990, 79, 419.
19. Jensen, P.; Brodersen, S.; Guelachvili, G. J. Mol. Spectrosc. 1981, 88, 378.
20. Karlsson, K.; Jadrny, R.; Mattsson, L.; Chau, F. T.; Siegbahn, K. Phys. Scr. 1977, 16, 225.