The effect of zero-point energy differences on the isotope dependence of the formation of ozone: A classical trajectory study

Journal of Chemical Physics

Volumn 122, Issue 9, 2005, Pages

  Schinke, Reinhard ^a   Fleurat Lessard, Paul ^b  

^a MAX PLANCK INSTITUTE FOR DYNAMICS AND SELF ORGANIZATION   (Germany)

^b UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY DIFFERENCE; FRAGMENTATION CHANNELS; STRONG-OSCILLATION MODEL; ZERO-POINT;

MATHEMATICAL MODELS; MAXWELL EQUATIONS; OZONE; PARAMETER ESTIMATION; STABILIZATION; THERMAL EFFECTS;

ISOTOPES;

EID: 22944452106     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1860011     Document Type: Article

References (44)

1. C. Janssen, J. Guenther, K. Mauersberger, and D. Krankowsky, Phys. Chem. Chem. Phys. 3, 4718 (2001).
2. C. Janssen, J. Guenther, D. Krankowsky, and K. Mauersberger, Chem. Phys. Lett. 367, 34 (2003).
3. K. Mauersberger, D. Krankowski, C. Janssen, and R. Schinke, Adv. At., Mol., Opt. Phys. (to be published).
4. A. Miklavc and S. D. Peyerimhoff, Chem. Phys. Lett. 359, 55 (2002).
5. D. Charlo and D. C. Clary, J. Chem. Phys. 117, 1660 (2002).
6. D. Babikov, B. K. Kendrick, R. B. Walker, R. T. Pack, P. Fleurat-Lessard, and R. Schinke, J. Chem. Phys. 118, 6298 (2003).
7. D. Babikov, B. K. Kendrick, R. B. Walker, R. T. Pack, P. Fleurat-Lessard, and R. Schinke, J. Chem. Phys. 119, 2577 (2003).
8. Y. Q. Gao and R. A. Marcus, Science 293, 259 (2001).
9. Y. Q. Gao and R. A. Marcus, J. Chem. Phys. 116, 137 (2002).
10. Y. Q. Gao, W.-C. Chen, and R. A. Marcus, J. Chem. Phys. 117, 1536 (2002).
11. S.Yu. Grebenshchikov, R. Schinke, and W.L. Hase, in Unimolecular Kinetics, edited by, N. Green, (Elsevier, Amsterdam, 2003).
12. S. Yu. Grebenshchikov, R. Schinke, P. Fleurat-Lessard, and M. Joyeux, J. Chem. Phys. 119, 6512 (2003).
13. B. C. Hathorn and R. A. Marcus, J. Chem. Phys. 111, 4087 (1999).
14. B. C. Hathorn and R. A. Marcus, J. Chem. Phys. 113, 9497 (2000).
15. R. Siebert, P. Fleurat-Lessard, R. Schinke, M. Bittererová, and S. C. Farantos, J. Chem. Phys. 116, 9749 (2002).
16. P. Fleurat-Lessard, S. Yu. Grebenshchikov, R. Siebert, R. Schinke, and N. Halberstadt, J. Chem. Phys. 118, 610 (2003).
17. P. Fleurat-Lessard, S. Yu. Grebenshchikov, R. Schinke, C. Janssen, and D. Krankowsky, J. Chem. Phys. 119, 4700 (2003).
18. M. Ivanov, S. Yu. Grebenshchikov, and R. Schinke, J. Chem. Phys. 120, 10015 (2004).
19. R. Schinke, P. Fleurat-Lessard, and S. Yu. Grebenshchikov, Phys. Chem. Chem. Phys. 5, 1966 (2003).
20. A. Gross and G. D. Billing, Chem. Phys. 217, 1 (1997).
21. T. A. Barker and G. I. Gellene, J. Chem. Phys. 117, 7603 (2002).
22. In Ref. 20 ozone formation rates have been calculated for several isotope combinations. However, the calculated results have no resemblance with the experimental relative formation rates.
23. M. Karplus, R. N. Porter, and R. D. Sharma, J. Chem. Phys. 43, 3259 (1965).
24. D. R. Bates, J. Chem. Phys. 93, 8739 (1990).
25. W. L. Morgan and D. R. Bates, Planet. Space Sci. 40, 1573 (1992).
26. R. Schinke and P. Fleurat-Lessard, J. Chem. Phys. 121, 5789 (2004).
27. T. C. Germann and W. H. Miller, J. Phys. Chem. A 101, 6358 (1997).
28. P. Rosmus, P. Palmieri, and R. Schinke, J. Chem. Phys. 117, 4871 (2002).
29. J. Troe, Chem. Rev. (Washington, D.C.) 103, 4565 (2003).
30. M. Ivanov, S.Yu. Grebenshchikov, and R. Schinke (unpublished).
31. R. Siebert, R. Schinke, and M. Bittererová, Phys. Chem. Chem. Phys. 3, 1795 (2001).
32. C. L. Lin and M. T. Leu, Int. J. Chem. Kinet. 14, 417 (1982).
33. H. Hippler, R. Rahn, and J. Troe, J. Chem. Phys. 93, 6560 (1990).
34. M. R. Wiegell, N. W. Larsen, T. Pedersen, and H. Egsgaard, Int. J. Chem. Kinet. 29, 745 (1997).
35. J. Guenther, B. Erbacher, D. Krankowsky, and K. Mauersberger, Chem. Phys. Lett. 306, 209 (1999).
36. J. Guenther, D. Krankowsky, and K. Mauersberger, Chem. Phys. Lett. 324, 31 (2000).
37. T. Baer and W.L. Hase, Unimolecular Reaction Dynamics (Oxford University Press, Oxford, 1996).
38. K.-L. Yeh, D. Xie, D. H. Zhang, S.-Y. Lee, and R. Schinke, J. Phys. Chem. A 107, 7215 (2003).
39. M. Tashiro and R. Schinke, J. Chem. Phys. 119, 10186 (2003).
40. C. Janssen, J. Guenther, D. Krankowski, and K. Mauersberger, J. Chem. Phys. 111, 7179 (1999).
41. R. T. Pack and R. B. Walker, J. Chem. Phys. 121, 800 (2004).
42. D. Charlo and D. C. Clary, J. Chem. Phys. 120, 2700 (2004).
43. J. Hauschildt, R. Schinke, S. Schmatz, and P. Botschwina, Phys. Chem. Chem. Phys. 3, 2275 (2001).
44. See Ref. 31 and Fig. 43 in Ref. 11. A more detailed study of lifetime distribution functions for specific energies and angular momentum quantum numbers is in preparation [Ivanov et al. (in preparation)].