The planar reaction OH+H2→H2O+H: A quasiclassical trajectory study

Journal of Chemical Physics

Volumn 104, Issue 8, 1996, Pages 2841-2846

  Palma, Juliana ^a   Echave, Julián ^a  

^a UNIVERSIDAD NACIONAL DE QUILMES   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0004229083     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471107     Document Type: Article

References (76)

1. (a) D. L. Bunker, Method Comput. Phys. 10, 287 (1971)
2. (b) R. N. Porter, Annu. Rev. Phys. Chem. 25, 317 (1974)
3. R. N. Porter and L. M. Raff, in Dynamics of Molecular Collision, edited by W. H. Miller (Plenum, New York, 1976), p. 1
4. L. M. Raff and D. L. Thompson, in Theory of Chemical Reactions, edited by M. Baer (CRC, Boca Raton, 1985) Vol. 3, p. 1
5. (e) H. R. Mayne, Int. Rev. Phys. Chem. 10, 107 (1991).
6. G. C. Schatz and H. Elgersma, Chem. Phys. Lett. 73, 1 (1980).
7. (a) A. N. Brooks and D. C. Clary, J. Chem. Phys. 92, 4178 (1990);
8. (b) A. N. Brooks, Ph.D. thesis, University of Cambridge, 1989.
9. Q. Sun and J. M. Bowman, J. Chem. Phys. 92, 5201 (1990).
10. I. W. M. Smith and R. Zellner, J. Chem. Soc. Faraday Trans. 270, 1045 (1974).
11. F. P. Tully and A. R. Ravishankara, J. Phys. Chem. 84, 3126 (1980).
12. A. R. Ravishankara, J. M. Nicovich, R. L. Thompson, and F. P. Tully, J. Chem. Phys. 85, 2498 (1981).
13. R. C. Oldenborg, G. W. Loge, D. M. Harradine, and K. R. Winn, J. Phys. Chem. 96, 8426 (1992).
14. J. V. Michael and J. W. Sutherland, J. Phys. Chem. 92, 3853 (1988).
15. G. C. Light and J. H. Matsumoto, Chem. Phys. Lett. 58, 578 (1978).
16. (a) G. P. Glass and B. K. Chaturvedi, J. Chem. Phys. 75, 2749 (1981);
17. (b) R. Zellner and W. Steinert, Chem. Phys. Lett. 81, 568 (1981).
18. (a) K. Kleinermanns and J. Wolfrum, Appl. Phys. B 34, 5 (1984);
19. (b) K. Kessler and K. Kleinermanns, Chem. Phys. Lett. 190, 145 (1992);
20. A. Jacobs H. R. Volp, and J. Wolfrum, Chem. Phys. Lett., ibid. 196, 249 (1992).
21. (a) A. Shina, M. C. Hsiao, and F. F. Crim, J. Chem. Phys. 92, 6333 (1990);
22. (b) A. Shina, M. C. Hsiao, and F. F. Crim, J. Chem. Phys. 94, 4928 (1991);
23. A. Shina, J. Chem. Phys., ibid. 94, 4391 (1990);
24. F. F. Crim, M. C. Hsiao, J. L. Scott, A. Shina, and R. L. Varnder Wal, Philos. Trans. R. Soc. London, Ser. A 332, 239 (1990);
25. (e) M. C. Hsiao, A. Shina, and F. F. Crim, J. Phys. Chem. 95, 8263 (1991).
26. (a) M. J. Bronikowski, W. R. Simpson, B. Girard, and R. N. Zare, J. Chem. Phys. 24, 8647 (1991);
27. (b) M. J. Bronikowski, W. R. Simpson, and R. N. Zare, J. Phys. Chem. 97, 2194, 2204 (1993);
28. D. E. Adelman, V. Filshet, and R. N. Zare, J. Chem. Phys. 98, 4636 (1993).
29. M. Alagia, N. Bulcani, P Casavecchia, D. Stranges, and G. G. Volpi, J. Chem. Phys. 98, 2459 (1993).
30. I. S. Koppe, T. Laurent, P. D. Naik, H. R. Volpp, and J. Wolfum (unpublished).
31. (a) G. D. Billing, Chem. Phys. 146, 63 (1990);
32. (b) G. D. Billing, Chem. Phys. 161, 245 (1992);
33. T. H. Dunning, L. B. Harding, and L. B. Kraka, Supercomputer Algorithms for Reactivity Dynamics and Kinetics of Small Molecules, edited by A. Lagana (Kluwer, Dordrecht, Holland, 1989), p. 57.
34. (a) A. D. Isaacson and D. G. Truhlar, J. Chem. Phys. 76, 1380 (1982);
35. (b) D. G. Truhlar and A. D. Isaacson, J. Chem. Phys., ibid. 77, 3516 (1982);
36. A. D. Isaacson, J. Chem. Phys., ibid. 96, 531 (1992);
37. M. J. Cohen, A. Willets, and N. C. Handy, J. Chem. Phys., ibid. 99, 5885 (1993).
38. G. C. Schatz, J. Chem. Phys. 74, 1133 (1981).
39. (a) O. Rashed and N. J. Brown, J. Chem. Phys. 82, 5506 (1985);
40. (b) O. Rashed and N. J. Brown, J. Chem. Phys. 85, 4348 (1986) .
41. G. C. Schatz, M. C. Colton, and J. L. Grant, J. Phys. Chem. 88, 2971 (1984
42. J. A. Harrison and H. R. Mayne, J. Chem. Phys. 88, 7424 (1988).
43. (a) K. Kudla and G. C. Schatz, Chem. Phys. Lett. 193, 507 (1992);
44. (b) J. Chem. Phys. 98, 4644 (1993);
45. Chem. Phys. 175, 71 (1993).
46. K. S. Bradley and G. C. Schatz, J. Chem. Phys. 98, 3788 (1994).
47. N. Balakrishnan and G. D. Billing, J. Chem. Phys. 101, 2785 (1994). 26
48. (a) D. C. Clary, J. Chem. Phys. 95, 7298 (1991);
49. (b) D. C. Clary, J. Chem. Phys. 96, 3656 (1992);
50. G. Nyman and D. C. Clary, J. Chem. Phys., ibid. 99, 7774 (1993);
51. D. C. Clary, Chem. Phys. Lett. 192, 34 (1992). 27
52. (a) J. M. Bowman and D. Wang, J. Chem. Phys. 96, 7852 (1992);
53. (b) D. Wang and J. M. Bowman, J. Chem. Phys., ibid. 96, 8906 (1992);
54. D. Wang and J. M. Bowman, J. Chem. Phys. 98, 6235 (1993);
55. Chem. Phys. Lett. 207, 227 (1993).
56. J. Echave and D. C. Clary, J. Chem. Phys. 100, 402 (1994).
57. (a) D. H. Zhang and J. Z. H. Zhang, J. Chem. Phys. 100, 2697 (1994);
58. (b) D. H. Zhang and J. Z. H. Zhang, J. Chem. Phys. 101, 1146 (1994);
59. D. Neuhauser, J. Chem. Phys., ibid. 100, 9272 (1994).
60. U. Manthe, T. Seidman, and W. H. Miller, J. Chem. Phys. 99, 5615 (1993).
61. (a) H. Szichman, I. Last, and M. Baer, J. Phys. Chem. 98, 828 (1994);
62. (b) H Szichman and M. Baer, J. Chem. Phys. 101, 2081 (1994).
63. W. H. Thompson and W. H. Miller, J. Chem. Phys. 101, 8620 (1994).
64. (a) C. W. Eaker, G. C. Schatz, N. De Leon, and E. J. Heller, J. Chem. Phys. 81, 5913 (1984);
65. (b) C. W. Eaker and G. C. Schatz, J. Chem. Phys., ibid. 81, 2394 (1984);
66. C. C. Martens and G. Ezra, J. Chem. Phys., ibid. 83, 2990 (1985).
67. (a) N. Sathyamurthy and L. N. Raff, J. Chem. Phys. 72, 3163 (1980);
68. (b) C. L. Stroud and L. N. Raff, J. Chem. Phys., ibid. 72, 5479 (1980).
69. R. N. Porter, L. N. Raff, and W. H. Miller, J. Chem. Phys. 63, 2214 (1975).
70. C. W. Eaker, J. Chem. Phys. 90, 105 (1989).
71. 2(v=0,1)-HD+H reaction on three ab initio potential energy surfaces. A quasiclassical trajectory study" (preprint).
72. J. C. Polanyi and J. L. Schreiber, Faraday Discuss. Chem. Soc. 62, 267 (1977).
73. R. D. Levine, J. Phys. Chem. 94, 8872 (1990).
74. J. A. Harrison and H. R. Mayne, Chem. Phys. Lett. 158, 356 (1989).
75. T. Mulloney and G. C. Schatz, Chem. Phys. 45, 213 (1980).
76. S. P. Walch and T. H. Dunning, J. Chem. Phys. 72, 1303 (1980).