Energy transfer rate coefficients from trajectory calculations and contributions of supercollisions to reactive rate coefficients

Journal of Physical Chemistry

Volumn 100, Issue 23, 1996, Pages 9738-9744

  Bernshtein, V ^a   Oref, I ^a   Lendvay, G ^b  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^b CTRL RES INSTITUTE FOR CHEMISTRY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARBON DISULFIDE; CARBON MONOXIDE; ENERGY TRANSFER; ISOMERIZATION; OLEFINS; PARAFFINS;

ENERGY TRANSFER RATE; RATE COEFFICIENTS; SUPERCOLLISIONS; TRAJECTORY CALCULATIONS; TRANSITION PROBABILITY FUNCTIONS;

REACTION KINETICS;

EID: 0030572242     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953341l     Document Type: Article

References (36)

1. Tardy, D. C.; Rabinovitch, B. S. Chem. Rev. 1977, 77, 369.
2. Oref, I.; Tardy, D. C. Chem. Rev. 1990, 90, 1407.
3. Pashutzky, A.; Oref, I. J. Phys. Chem. 1988, 92, 178.
4. Hassoon, S.; Oref, I.; Steel, C. J. Chem. Phys. 1988, 89,1743.
5. Margulis, I. M; Asperse, S. S.; Steel, C.; Oref, I. J. Chem. Phys. 1989, 90, 923.
6. Mullin, A. S.; Park, J.; Chou, J. Z.; Flynn, G. W.; Weston, R. E. Chem. Phys. 1993, 53, 175.
7. Mullin, A. S; Michaels, C. A.; Flynn, G. W. J. Chem. Phys. 1995, 102, 6032.
8. Clarke, D. L.; Thompson, K. G.; Gilbert, R. G. Chem. Phys. Lett. 1991, 182, 357.
9. Lendvay, G.; Schatz, G. C. J. Phys. Chem. 1990, 94, 8864.
10. Bernshtein, V.; Lim, K. F.; Oref, I. J. Phys. Chem. 1995, 99, 4531.
11. Bernshtein, V.; Oref, L Chem. Phys. Lett. 1995, 173, 233.
12. Lenzer, T.; Luther, K.; Troe, J.; Gilbert, R. G.; Lim, K. F. J. Chem Phys. 1995, 103, 626.
13. Bernshtein, V.; Oref, I. J. Phys. Chem. 1993, 97, 12811.
14. Troe, J. J. Chem. Phys. 1992, 97, 288.
15. Clary, D. C.; Gilbert, R. G.; Bernshtein, V.; Oref, I. Faraday Discuss. 1995, Dec.
16. Bernshtein, V.; Oref, I. J. Phys. Chem. 1994, 98, 3782.
17. Tzidoni, E.; Oref, I. Chem. Phys. 1984, 84, 403.
18. Bernshtein, V.: Oref, I. J. Phys. Chem. 1993, 97, 6830.
19. Lendvay, G.; Schatz, G. C. J. Phys. Chem. 1994, 98, 6530.
20. Lendvay, G.; Schatz, G. C. J. Phys. Chem. 1992, 96, 3752.
21. Lendvay, G.; Schatz, G. C. In Vibrational Energy Transfer Involving Large and Small Molecules; Barker, J. R., Ed.; JAI Press: Greenwich, CT, 1995.
22. Lendvay, G.; Schatz, G. C. J. Chem. Phys. 1992, 96, 4356.
23. Lim, K. F.; Gilbert, R. G. J. Phys. Chem. 1990, 94, 77.
24. Truhlar, D. G.; Muckerman, J. T. In Atom-Molecule Collision Theory, A Guide to the Experimentalist; Bernstein, R. B., Ed.; Plenum Press: New York, 1979.
25. Raff, L. M.; Thompson, D. L. In Theory of Chemical reaction Dynamics; Baer, M., Ed.; CRC Press: Boca Raton, FL, 1985; Vol. III.
26. Tardy, D. C; Rabinovitch, B. S., J. Chem. Phys. 1972, 48, 1282.
27. Hase, W. L.; Duchovic, R. J.; Lu, D.-H.; Swamy, K. N.; Vande Linde, S. R.; Wolf, R. J. VENUS. A General Monte Carlo Classical Trajectory Computer Program, 1988.
28. Bernshtein, V.; Lendvay, G.; Oref, I. manuscript in preparation.
29. Lendvay, G. Presented at the Thirteenth. International Symposium on Gas Kinetics, Dublin, Ireland, Sept 11-16, 1994; manuscript in preparation.
30. Tardy, D. C.; Rabinovitch, B. S. J. Chem. Phys. 1968, 48, 5194.
31. Tardy, D. C.; Song, B. H. J. Phys. Chem. 1993, 97, 5628.
32. Yerram, M. L.; Brenner, J. D.; King, K. D.; Barker, J. R. J. Phys. Chem. 1990, 94, 6341.
33. Toselli, B.; Brenner, J. D.; Yerram, M. L.; Chin, W. E.; King, K. D.; Barker, J. R. J. Chem. Phys. 1990, 94, 6341.
34. Hippler, H.; Troe, J.; Wendelken, H. J. J. Chem. Phys. 1983, 78, 5351, 6718.
35. Barker, J. R. J. Chem. Phys. 1990, 94, 6341.
36. Hippler, H.; Lindemann, L.; Troe, J. J. Chem. Phys. 1985, 83, 3906.