A rigorous quantum molecular dynamics study of a collinear A+BC → AB+C reaction

Chemical Physics

Volumn 237, Issue 3, 1998, Pages 305-314

  Wang, Lichang ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032366778     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(98)00281-X     Document Type: Article

References (58)

1. Zhang J.Z.H., Dai J., Zhu W. J. Phys. Chem. A. 101:1997;2746.
2. Schatz G.C. J. Phys. Chem. 100:1996;12839.
3. D.E. Manolopoulos, D.C. Clary, Ann. Rep. C (R. Soc. Chem.), 1989, p. 95.
4. Marcus R.A. J. Chem. Phys. 45:1966;4493.
5. W.H. Miller, J.Chem. Phys. 50 (1969) 407.
6. Kuppermann A. Chem. Phys. Lett. 32:1975;374.
7. Mead C.A. Chem. Phys. 49:1980;23.
8. Johnson B.R. J. Chem. Phys. 73:1980;5051.
9. Pack R.T. Chem. Phys. Lett. 108:1984;333.
10. D.C. Clary, J. Echave, in: J.M. Bowman (Ed.), Advances in Molecular Vibrations and Collision Dynamics, Vol. 2A, JAI Press, Greenwich, CT, 1994, p. 203.
11. Kuppermann A., Schatz G.C. J. Chem. Phys. 62:1975;2502.
12. Elkowitz A.B., Wyatt R.E. J. Chem. Phys. 62:1975;2504.
13. D. Neuhauser, M. Baer, R.S. Judson, D.J. Kouri, J. Chem. Phys. 93 (1990) 312.
14. D.W. Schneke, K. Haug, D.G. Truhlar, Y. Sun, J.Z.H. Zhang, D. Kouri, J. Chem. Phys. 91 (1987) 6080.
15. Zhang J.Z.H., Chu S.-I., Miller W.H. J. Chem. Phys. 88:1988;6233.
16. McCullough E.A. Jr., Wyatt R.E. J. Chem. Phys. 51:1969;1253.
17. Kosloff D., Kosloff R. J. Comput. Phys. 52:1983;35.
18. Light J.C., Hamilton I.P., Lill J.V. J. Chem. Phys. 82:1985;1400.
19. Bisseling R.H., Kosloff R. J. Chem. Phys. 83:1985;993.
20. Neuhauser D., Baer M. J. Chem. Phys. 90:1989;4351.
21. D. Neuhauser, M. Baer, R.S. Judson, D.J. Kouri, Comp. Phys. Comm. 63 (1991) 460.
22. Kosloff R. J. Phys. Chem. 92:1988;2087.
23. Tal-Ezer H., Kosloff R. J. Chem. Phys. 81:1984;3967.
24. Y. Sun, B.C. Mowray, D.J. Kouri, J. Chem. Phys. 87 (1987) 339.
25. Feit M.D., Fleck J.A. J. Chem. Phys. 78:1982;301.
26. Billing G.D. Mol. Phys. 89:1996;355.
27. Billing G.D. J. Chem. Soc. Faraday Trans. 93:1997;833.
28. Heller E.J. Acc. Chem. Res. 14:1981;368.
29. Head-Gordon M. J. Phys. Chem. 100:1996;13213.
30. Kohn W., Becke A.D., Parr R.G. J. Phys. Chem. 100:1996;12974.
31. Wang L. Chem. Phys. Lett. 285:1998;359.
32. Lukka T.J. J. Chem. Phys. 102:1995;3945.
33. Colwell S.M., Handy N.C. Mol. Phys. 92:1997;317.
34. Neuhauser D., Judson R.S., Kouri D.J., Adeiman D.E., Shafer N.E., Kliner D.A.V., Zare R.N. Science. 257:1992;519.
35. Peng Z.W., Kristyan S., Kuppermann A., Wright J.S. Phys. Rev. A. 52:1995;1005.
36. Kitsopoulos T.N., Buntine M.A., Baldwin D.P., Zare R.N., Chandler D.W. Science. 260:1993;1605.
37. Wu Y.-S.M., Kuppermann A. Chem. Phys. Lett. 201:1993;178.
38. Wu Y.-S.M., Kuppermann A. Chem. Phys. Lett. 205:1993;577.
39. Adhikari S., Billing G.D. J. Chem. Phys. 107:1997;6213.
40. Adhikari S., Billing G.D. Chem. Phys. Lett. 284:1998;31.
41. Yarkony D.R. J. Chem. Phys. 105:1996;10456.
42. Wang L. J. Chem. Phys. 108:1998;7538.
43. M.A. Ratner, private communication.
44. Mukamel S., Ross J. J. Chem. Phys. 66:1977;3759.
45. R.D. Levine, Quantum Mechanics of Molecular Rate Processes, Oxford University Press, 1969, p. 205.
46. M. Quack, J. Troe, in: D. Henderson (Ed.), Theoretical Chemistry: Advances and perspectives, Vol. 6B, Academic Press, New York, 1981, p. 204.
47. L. Wang, Phys. Rev. Lett., submitted.
48. Baer M. Chem. Phys. Lett. 35:1975;112.
49. Baer R., Charutz D.M., Kosloff R., Baer M. J. Chem. Phys. 105:1996;9141.
50. Baer M., Englman R. Chem. Phys. Lett. 265:1997;105.
51. Baer M. J. Chem. Phys. 107:1997;2694.
52. Kolos W., Wolniewicz L. J. Chem. Phys. 41:1964;3663.
53. Sellers H., Pulay P. Chem. Phys. Lett. 103:1984;463.
54. Handy N.C., Yamaguchi Y., Schaefer III H.F. J. Chem. Phys. 84:1986;4481.
55. Ioannou A.G., Amos R.D., Handy N.C. Chem. Phys. Lett. 251:1996;52.
56. Handy N.C., Lee A.M. Chem. Phys. Lett. 252:1996;425.
57. Moss R.E. Mol. Phys. 89:1996;195.
58. L. Wang, J. Chem. Phys., submitted.