Ab initio CI Calculations of the Potential Curves and Nonadiabatic Coupling Matrix Elements for Collisions of Protons with the Ethylene Molecule

International Journal of Quantum Chemistry

Volumn 95, Issue 6, 2003, Pages 866-876

  Rai, Sachchida N ^a   Liebermann, Heinz Peter ^a   Buenker, Robert J ^a,c   Kimura, Mineo ^b  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b YAMAGUCHI UNIVERSITY   (Japan)

^c NORTH EASTERN HILL UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; ETHYLENE; GROUND STATE; IONIZATION; PROTONS;

ELECTRONIC STATES;

MOLECULAR DYNAMICS;

EID: 0242582176     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10584     Document Type: Article

References (19)

1. Black, J. H.; Dalgarmo, A. Astrophys J 1976, 206, 132.
2. Geisler, G. E. J Geophys Res 1967, 72, 81.
3. Kimura, M.; Li, Y.; Hirsch, G.; Buenker, R. J. Phys Rev A 1995, 52, 1196.
4. Kimura, M.; Li, Y.; Hirsch, G.; Buenker, R. J. Phys Rev A 1996, 54, 5019.
5. Dunning, T. H., Jr. J Chem Phys 1989, 90, 1007.
6. Herzberg, G. Molecular Spectra and Molecular Structure, vol. III; Van Nostrand Reinhold: New York, 1966.
7. Buenker, R. J.; Peyerimhoff, S. D. Theor Chim Acta 1974, 35, 33; Buenker, R. J.; Peyerimhoff, S. D. Theor Chim Acta 1975, 39, 217; Buenker, R. J. Int J Quantum Chem 1986, 29, 435.
8. Buenker, R. J.; Peyerimhoff, S. D. Theor Chim Acta 1974, 35, 33; Buenker, R. J.; Peyerimhoff, S. D. Theor Chim Acta 1975, 39, 217; Buenker, R. J. Int J Quantum Chem 1986, 29, 435.
9. Buenker, R. J.; Peyerimhoff, S. D. Theor Chim Acta 1974, 35, 33; Buenker, R. J.; Peyerimhoff, S. D. Theor Chim Acta 1975, 39, 217; Buenker, R. J. Int J Quantum Chem 1986, 29, 435.
10. Buenker, R. J. In: Burton, P., ed. Proceedings of the Workshop on Quantum Chemistry and Molecular Physics; University: Wollongong, Australia, 1980, p 1.5.1; Buenker, R. J. In: Carbo, R., ed. Studies in Physical and Theoretical Chemistry, vol. 21: Current Aspects of Quantum Chemistry; Elsevier: Amsterdam, 1982; p 17; Buenker, R. J.; Phillips, R. A. J Mol Struct Theochem 1985, 123, 291.
11. Buenker, R. J. In: Burton, P., ed. Proceedings of the Workshop on Quantum Chemistry and Molecular Physics; University: Wollongong, Australia, 1980, p 1.5.1; Buenker, R. J. In: Carbo, R., ed. Studies in Physical and Theoretical Chemistry, vol. 21: Current Aspects of Quantum Chemistry; Elsevier: Amsterdam, 1982; p 17; Buenker, R. J.; Phillips, R. A. J Mol Struct Theochem 1985, 123, 291.
12. Buenker, R. J. In: Burton, P., ed. Proceedings of the Workshop on Quantum Chemistry and Molecular Physics; University: Wollongong, Australia, 1980, p 1.5.1; Buenker, R. J. In: Carbo, R., ed. Studies in Physical and Theoretical Chemistry, vol. 21: Current Aspects of Quantum Chemistry; Elsevier: Amsterdam, 1982; p 17; Buenker, R. J.; Phillips, R. A. J Mol Struct Theochem 1985, 123, 291.
13. Davidson, E. R. In: Dandel, R.; Pullman, B., eds. The World of Quantum Chemistry; Reidel: Dordrecht, The Netherlands, 1974; p 17.
14. Hirsch, G.; Bruna, P. J.; Peyerimhoff, S. D.; Buenker, R. J. Chem Phys Lett 1977, 52, 442.
15. Galloy, C.; Lorquet, J. C. J Chem Phys 1977, 67, 4672.
16. Hirsch, G.; Bruna, P. J.; Buenker, R. J.; Peyerimhoff, S. D. Chem Phys 1980, 45, 335.
17. Buenker, R. J.; Hirsch, G.; Peyerimhoff, S. D.; Bruna, P. J.; Römelt, J.; Bettendorf, M.; Petrongolo, C. In: Carbo, R., ed. Studies in Physical and Theoretical Chemistry, Vol. 21: Current Aspects of Quantum Chemistry; Elsevier: Amsterdam, 1982; p 81.
18. Bierri, G.; Asbrink, L. J Electron Spectrosc Rel Phenom 1980, 20, 149.
19. Heryadi, D.; Jones, C. T.; Yeager, D. L. J Chem Phys 1997, 107, 5088.