Unimolecular phase space theory rates by inversion of angular momentum- conserved partition function

Physical Chemistry Chemical Physics

Volumn 1, Issue 6, 1999, Pages 1283-1291

  Forst, Wendell ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; MATHEMATICAL ANALYSIS; PHYSICAL CHEMISTRY; THEORY;

EID: 0033559417     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a808671k     Document Type: Article

References (53)

1. 1 P. Pechukas and J. C. Light, J. Chem. Phys., 1965, 42, 3281; P.Pechukas, J. C. Light and C. Rankin, J. Chem. Phys., 1966, 44,794.
2. 1 P. Pechukas and J. C. Light, J. Chem. Phys., 1965, 42, 3281; P. Pechukas, J. C. Light and C. Rankin, J. Chem. Phys., 1966, 44, 794.
3. 2 W. J. Chesnavich and M. T. Bowers, (a) J. Am. Chem. Soc., 1976, 98, 8301 ;
4. (b) J. Chem. Phys., 1977, 66, 2306;
5. (c) J. Am. Chem. Soc., 1977, 99, 1705;
6. (d) J. Chem. Phys., 1978, 68, 901; J. Troe, J. Chem.Phys., 1983, 79, 6017, Appendix C.
7. (d) J. Chem. Phys., 1978, 68, 901; J. Troe, J. Chem. Phys., 1983, 79, 6017, Appendix C.
8. 3 T. Baer and W. L. Hase, Unimolecular Reaction Dynamics, Oxford University Press, New York, 1996, Ch. 7.4.
9. 4 C. E. Klots, J. Phys. Chem., 1971, 75, 1526; Z. Naturforsch., TeilA, 1972, 27, 553.
10. 4 C. E. Klots, J. Phys. Chem., 1971, 75, 1526; Z. Naturforsch., Teil A, 1972, 27, 553.
11. 5 W. Forst, Theory of Unimolecular Reaction, Academic Press, New York, 1973, Ch. 6.
12. 6 J. O. Hirschfelder, C. F. Curtiss and R. B. Bird, Molecular Theory of Gases and Liquids, Wiley, New York, 1967, Ch. 13.
13. 7 W. Forst, Chem. Phys. Lett., 1996, 262, 539.
14. 8 C. E. Klots and J. Polach, J. Phys. Chem., 1995, 99, 15396. Cf.also M. Olzmann and J. Troe, Ber. Bunsenges. Phys. Chem., 1992,96, 1327; ibid. 1984, 98, 1562.
15. 8 C. E. Klots and J. Polach, J. Phys. Chem., 1995, 99, 15396. Cf. also M. Olzmann and J. Troe, Ber. Bunsenges. Phys. Chem., 1992, 96, 1327; ibid. 1984, 98, 1562.
16. 8 C. E. Klots and J. Polach, J. Phys. Chem., 1995, 99, 15396. Cf.also M. Olzmann and J. Troe, Ber. Bunsenges. Phys. Chem., 1992,96, 1327; ibid. 1984, 98, 1562.
17. 9 M. Abramowitz and I. A. Stegun, Handbook of Mathematical Functions, NBS Washington, 1972, p. 297.
18. 10 I. S. Gradshteyn and I. M. Ryzhik, Tables of Integrals, Series and Products, Academic Press, New York, 1965, p. 649, item 6.284.
19. 11 W. Forst, J. Comput. Chem., 1996, 17, 954.
20. 12 JAN AF Thermochemical Tables, NSRDS-NBS 37, Washington, 2nd edn., 31971.
21. 13 H. Katagiri and S. Kato, J. Chem. Phys., 1993, 99, 8805.
22. 14 B. M. Toselli and J. R. Barker, J. Chem. Phys., 1989, 91, 2239.
23. 15 W. Forst, Chem. Phys. Lett., 1994, 231, 43.
24. 16 D. M. Wardlaw and R. A. Marcus, J. Chem. Phys., 1985, 83, 3462.
25. 17 W. Tsang and J. T. Herron, J. Phys. Chem. Ref. Data, 1991, 20, 609.
26. 18 R. Atkinson, D. L. Baulch, R. A. Cox, R. F. Hampson, J. A. Kerr and J. Troe, J. Phys. Chem. Ref. Data, 1992, 21, 1125.
27. 19 L. B. Harding, Ber. Bunsenges. Phys. Chem., 1997, 101, 363.
28. 20 M. Brouard, M. T. Macpherson and M. J. Pilling, J. Phys. Chem., 1989, 93, 4047.
29. 21 W. Forst, J. Phys. Chem., 1991, 95, 3612.
30. 22 D. L. Baulch, C. J. Cobos, R. A. Cox, C. Esser, P. Frank, Th. Just, J. A. Kerr, M. J. Pilling, J. Troe, R. W. Walker and J. Warnatz, J. Phys. Chem. Ref. Data, 1992, 21, 411.
31. 23 C. J. Cobos and J. Troe, Z. Phys. Chem., 1990, 167, 129.
32. 24 W. Tsang and R. F. Hampson, J. Phys. Chem. Ref. Data, 1986, 15, 1087.
33. 25 P. H. Stewart, G. P. Smith and D. M. Golden, Int. J. Chem. Kinet., 1989, 21, 923.
34. 26 L. R. Khundkar, J. L. Knee and A. H. Zewail, J. Chem. Phys., 1987, 87, 77.
35. 27 S. J. Klippenstein, L. R. Khundkar, A. H. Zewail and R. A. Marcus, J. Chem. Phys., 1988, 89, 4761.
36. 28 I. Nadler, J. Pfab, H. Reisler and C. Wittig, J. Chem. Phys., 1984, 81, 653.
37. 29 W. Tsang, J. Phys. Chem. Ref. Data, 1992, 21, 753.
38. 30 I. R. Sims and I. W. M. Smith, J. Chem. Soc., Faraday Trans., 1993, 89, 1.
39. Cf. D. L. Yang and M. C. Lin, in The Chemical Dynamics and Kinetics of Small Radicals, ed. K. Liu, A. Wagner, World Scientific, Singapore, 1995, Ch. 5.
40. 31 S. J. Klippenstein and R. A. Marcus, J. Chem. Phys., 1989, 91, 2280.
41. 32 E. D. Potter, M. Gruebele, L. R. Khundkar and A. H. Zewail, Chem. Phys. Lett., 1989, 164, 463.
42. 33 S. K. Kim, E. R. Lovejoy and C. B. Moore, J. Chem. Phys., 1995, 102, 3202.
43. 34 D. M. Wardlaw and R. A. Marcus, J. Phys. Chem., 1986, 90, 5383.
44. 35 S. H. Robertson, M. J. Pilling, D. L. Baulch and N. J. B. Green, J. Phys. Chem., 1995, 99, 13452.
45. 36 J. P. Hessler and P. J. Ogren, J. Phys. Chem., 1996, 100, 984.
46. 37 A. F. Wagner and D. M. Wardlaw, J. Phys. Chem., 1988, 92, 2462.
47. 38 P. H. Stewart, C. W. Larson and D. M. Golden, Combust. Flame, 1989, 75, 25.
48. 39 J. Troe, J. Chem. Phys., 1983, 79, 6017.
49. 40 J. Troe, (a) Ber. Bunsenges. Phys. Chem., 1997, 101, 438;
50. J. Chem. Soc., Faraday Trans.; (b) 1991, 87, 2299;
51. (c) 1997, 93, 885.
52. 41 C. J. Cobos and J. Troe, J. Chem. Phys., 1985, 83, 1010.
53. 42 W. Forst, Comput. Chem., 1996, 20, 419.