Quantum mechanical study of intramolecular vibrational energy redistribution in the second CH stretch overtone state in benzene

Journal of Chemical Physics

Volumn 109, Issue 2, 1998, Pages 585-591

  Rashev, S ^a   Stamova, M ^a   Kancheva, L ^a  

^a INSTITUTE OF SOLID STATE PHYSICS   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ALGORITHMS; BENZENE; CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ELECTRONIC DENSITY OF STATES; HYDROCARBONS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS;

HAMILTONIAN MATRICES; INTRAMOLECULAR VIBRATIONAL ENERGY REDISTRIBUTION; VIBRATIONAL MIXING;

QUANTUM THEORY;

EID: 0032496803     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476595     Document Type: Article

References (42)

1. T. Uzer, Phys. Rep. 199, 75 (1991).
2. W. Siebrand and D. H. Williams, J. Chem. Phys. 49, 1860 (1968).
3. B. R. Henry and W. Siebrand, J. Chem. Phys. 49, 5369 (1968).
4. R. Wallace, Chem. Phys. 11, 189 (1975).
5. R. L. Swofford, M. J. Long, and A. C. Albrecht, J. Chem. Phys. 65, 179 (1976).
6. L. Halonen, Chem. Phys. Lett. 87, 221 (1982).
7. K. K. Lehmann, J. Chem. Phys. 84, 6524 (1986).
8. R. G. Della Valle, Mol. Phys. 63, 611 (1988).
9. R. J. Bray and M. J. Berry, J. Chem. Phys. 71, 4909 (1979).
10. K. V. Reddy, D. F. Heller, and M. J. Berry, J. Chem. Phys. 76, 2814 (1982).
11. E. L. Sibert, W. P. Reinhardt, and J. T. Hynes, J. Chem. Phys. 81, 1115 (1984).
12. P. H. Page, Y. R. Shen, and Y. T. Lee, J. Chem. Phys. 88, 4621 (1988).
13. M. Scotoni, A. Boscetti, N. Oberhofer, and D. Bassi, J. Chem. Phys. 94, 971 (1991).
14. D. Bassi, L. Megnotti, S. Oss, M. Scotoni, and F. Iachello, Chem. Phys. Lett. 207, 167 (1993).
15. M. Scotoni, C. Leonardi, and D. Bassi, J. Chem. Phys. 95, 8655 (1991).
16. Y. Zhang, S. J. Klippenstein, and R. A. Marcus, J. Chem. Phys. 94, 7319 (1991).
17. Y. Zhang and R. A. Marcus, J. Chem. Phys. 97, 5283 (1992).
18. R. Wyatt, C. Iung, and C. Leforestier, J. Chem. Phys. 97, 3458 (1992);
19. 97, 3477 (1992).
20. R. Wyatt and C. Iung, J. Chem. Phys. 98, 6758 (1993).
21. C. Iung and R. Wyatt, J. Chem. Phys. 99, 2261 (1993).
22. D. H. Lu and W. L. Hase, J. Chem. Phys. 89, 6723 (1988);
23. 91, 7490 (1989);
24. J. Phys. Chem. 92, 3217 (1988).
25. D. L. Clarke and M. A. Collins, J. Chem. Phys. 87, 6871 (1987);
26. 87, 5312 (1987).
27. K. L. Bintz, D. L. Thomson, and J. W. Brady, J. Chem. Phys. 85, 1848 (1986);
28. 86, 4411 (1987).
29. E. L. Sibert, J. T. Hynes, and W. P. Reinhardt, J. Chem. Phys. 81, 1135 (1984).
30. J. M. Gomez-Llorente, O. Hahn, and H. S. Taylor, J. Chem. Phys. 92, 2762 (1990).
31. Y. Zhang and R. A. Marcus, J. Chem. Phys. 96, 6065 (1992).
32. F. Iachello and S. Oss, J. Chem. Phys. 99, 7337 (1993).
33. S. Rashev, M. Stamova, and S. Djambova, J. Chem. Phys. 108, 4797 (1998).
34. E. B. Wilson, J. C. Decius, and P. C. Cross, Molecular Vibrations (Mc Graw-Hill, New York, 1955).
35. D. H. Whiffen, Philos. Trans. R. Soc. London, Ser. A 248, 131 (1955).
36. P. Pulay, G. Fogarasi, and J. E. Boggs, J. Chem. Phys. 74, 3999 (1981).
37. A Messiah, Quantum Mechanics (Wiley, New York, 1961).
38. P. E. Maslen, N. C. Handy, R. D. Amos, and D. Jayatilaka, J. Chem. Phys. 97, 4233 (1992).
39. J. Chang and R. E. Wyatt, J. Chem. Phys. 85, 1826 (1986).
40. S. Lederman and R. A. Marcus, J. Chem. Phys. 88, 6312 (1988).
41. C. Iung and C. Leforestier, Comput. Phys. Commun. 62, 135 (1991).
42. D. T. Colbert and E. L. Sibert, J. Chem. Phys. 94, 6519 (1991).