Full-dimensional quantum dynamics study on the mode-specific unimolecular dissociation reaction of HFCO

Journal of Chemical Physics

Volumn 112, Issue 18, 2000, Pages 8006-8016

  Yamamoto, Takeshi ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000111534     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481400     Document Type: Article

References (45)

1. Dynamics of Molecules and Chemical Reactions, edited by R. E. Wyatt and J. Z. H. Zhang (Marcel Dekker, New York, 1996).
2. J. Z. H. Zhang, Theory and Application of Quantum Molecular Dynamics (World Scientific, Singapore, 1999).
3. M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984).
4. V. S. Batista and W. H. Miller, J. Chem. Phys. 108, 498 (1998); X. Sun and W. H. Miller, ibid. 110, 6635 (1999).
5. V. S. Batista and W. H. Miller, J. Chem. Phys. 108, 498 (1998); X. Sun and W. H. Miller, ibid. 110, 6635 (1999).
6. Y. Elran and K. G. Kay, J. Chem. Phys. 110, 3653 (1999).
7. F. S. Mayor, A. Askar, and H. A. Rabitz, J. Chem. Phys. 111, 2423 (1999).
8. R. E. Wyatt, J. Chem. Phys. 111, 4406 (1999).
9. U. Manthe, H. D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 3199 (1992); F. Matzkies and U. Manthe, ibid. 108, 4828 (1998), and references therein.
10. U. Manthe, H. D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 3199 (1992); F. Matzkies and U. Manthe, ibid. 108, 4828 (1998), and references therein.
11. (a) Y. S. Choi and C. B. Moore, J. Chem. Phys. 90, 3875 (1989);
12. (b) 94, 5414 (1991);
13. (c) 97, 1010 (1992);
14. (d) 103, 9981 (1995).
15. J. C. Crane, A. Kawai, H. Nam, H. Clauberg, H. P. Beal, P. Guinn, and C. B. Moore, J. Mol. Spectrosc. 183, 273 (1997); J. C. Crane, H. Nam, H. Clauberg, H. P. Beal, I. J. Kalinovski, R. G. Shu, and C. B. Moore, J. Phys. Chem. A 102, 9433 (1998).
16. J. C. Crane, A. Kawai, H. Nam, H. Clauberg, H. P. Beal, P. Guinn, and C. B. Moore, J. Mol. Spectrosc. 183, 273 (1997); J. C. Crane, H. Nam, H. Clauberg, H. P. Beal, I. J. Kalinovski, R. G. Shu, and C. B. Moore, J. Phys. Chem. A 102, 9433 (1998).
17. K. Morokuma, S. Kato, and K. Hirao, J. Chem. Phys. 72, 6800 (1980); K. Morokuma and S. Kato, in Potential Energy Surfaces and Dynamics Calculations, edited by D. G. Truhlar (Plenum, New York, 1981), p. 243.
18. K. Morokuma, S. Kato, and K. Hirao, J. Chem. Phys. 72, 6800 (1980); K. Morokuma and S. Kato, in Potential Energy Surfaces and Dynamics Calculations, edited by D. G. Truhlar (Plenum, New York, 1981), p. 243.
19. J. D. Goddard and H. F. Schaefer III, J. Chem. Phys. 93, 4907 (1990).
20. W. H. Green, D. Jayatilaka, A. Willetts, R. D. Amos, and N. C. Handy, J. Chem. Phys. 93, 4965 (1990).
21. K. Kamiya and K. Morokuma, J. Chem. Phys. 94, 7287 (1991).
22. J. S. Francisco and Y. Zhao, J. Chem. Phys. 96, 7587 (1992).
23. T-G. Wei and R. E. Wyatt, J. Phys. Chem. 97, 13580 (1993).
24. T. Yamamoto and S. Kato, J. Chem. Phys. 107, 6114 (1997).
25. F. E. Budenholzer and T. Yu, J. Phys. Chem. A 102, 947 (1998).
26. A. Viel and C. Leforestier, J. Chem. Phys. 112, 1212 (2000).
27. R. A. Friesner, J. Bently, M. Menou, and C. Leforestier, J. Chem. Phys. 99, 324 (1993).
28. T. Yamamoto and S. Kato, J. Chem. Phys., 109, 9783 (1998).
29. M. J. Bramley and T. Carrigton, Jr., J. Chem. Phys. 99, 8519 (1993).
30. J. Echave and D. C. Clary, Chem. Phys. Lett. 190, 225 (1992).
31. D. T. Colbert and W. H. Miller, J. Chem. Phys. 96, 1982 (1992).
32. S. Skokov, J. Qi, J. M. Bowman, C-Y. Yang, S. K. Gray, K. A. Peterson, and V. A. Mandelshtam, J. Chem. Phys. 109, 10273 (1998).
33. T. Seideman and W. H. Miller, J. Chem. Phys. 96, 4412 (1992).
34. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 103, 2903 (1995).
35. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in Fortran 77, 2nd ed. (Cambridge University Press, Cambridge, 1996).
36. N. C. Handy, Mol. Phys. 61, 207 (1987).
37. F. Gög̃tas, G. G. Balint-Kurti, and A. R. Offer, J. Chem. Phys. 104, 7927 (1996).
38. V. A. Mandelshtam and H. S. Taylor, J. Chem. Soc., Faraday Trans. 93, 847 (1997).
39. T. C. Germann and W. H. Miller, J. Phys. Chem. A 101, 6358 (1997).
40. T. Baer and W. L. Hase, Unimolecular Reaction Dynamics (Oxford University Press, Oxford, 1996).
41. W. H. Miller, J. Am. Chem. Soc. 101, 6810 (1979).
42. G. Hose and H. S. Taylor, Chem. Phys. 84, 375 (1984).
43. T. Sako and K. Yamanouchi, Chem. Phys. Lett. 264, 403 (1997).
44. G. Ma and H. Guo, J. Chem. Phys. 111, 4032 (1999).
45. M. P. Jacobson, R. J. Silbey, and R. W. Field, J. Chem. Phys. 110, 845 (1999).