A microscopic frictional theory for reactions in condensed phases: Influence of nonlinear couplings

Journal of Chemical Physics

Volumn 105, Issue 13, 1996, Pages 5431-5445

  Nagaoka, Masataka ^a   Yoshida, Naoto ^a,b,c   Yamabe, Tokio ^b  

^a INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c DAICEL CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33645816870     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472384     Document Type: Article

References (50)

1. H. Eyring, J. Chem. Phys. 3, 107 (1934);
2. E. Wigner, J. Chem. Phys. ibid. 5, 720 (1937).
3. D. G. Truhlar, W. L. Hase, and J. T. Hynes, J. Phys. Chem. 87, 2664 (1983).
4. S. Glasstone, K. J. Laidler, and H. Eyring, The Theory of Rate Processes (McGraw-Hill, New York, 1941).
5. H. A. Kramers, Physica 7, 284 (1940).
6. J. T. Hynes, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, 1985), Vol. IV.
7. R. F. Grote and J. T. Hynes, J. Chem. Phys. 73, 2715 (1980).
8. R. F. Grote and J. T. Hynes, J. Chem. Phys. 74, 4465 (1981).
9. P. Hänggi, P. Talkner, and M. Borkovec, Rev. Mod. Phys. 62, 251 (1990).
10. A. Warshel, Computer Modeling of Chemical Reactions in Enzymes and Solutions (Wiley, New York, 1991).
11. W. L. Jorgensen, Adv. Chem. Phys. 70, 469 (1988).
12. S. C. Tucker and D. G. Truhlar, J. Am. Chem. Soc. 112, 3347 (1990).
13. G. K. Schenter, R. P. McRae, and B. C. Garrett, J. Chem. Phys. 97, 9116 (1992).
14. G. van der Zwan and J. T. Hynes, J. Chem. Chys. 78, 4174 (1983).
15. B. M. Landanyi and J. T. Hynes, J. Am. Chem. Soc. 108, 585 (1986).
16. T. Fonseca, B. M. Landanyi, and J. T. Hynes, J. Phys. Chem. 96, 4085 (1992).
17. E. Pollak, J. Chem. Phys. 85, 865 (1986).
18. E. Pollak, Chem. Phys. Lett. 127, 197 (1986).
19. E. Pollak, Chem. Phys. Lett. 196, 197 (1992).
20. E. Pollak, J. Chem. Phys. 95, 533 (1991).
21. J. B. Straus and G. A. Voth, J. Chem. Phys. 96, 5460 (1992).
22. C. G. Swain and R. F. W. Bader, Tetrahedron 10, 182 (1960).
23. C. A. Bunton and V. J. Shiner, Jr., J. Am. Chem. Soc. 83, 3207 (1961).
24. X. G. Zhao, S. C. Tucker, and D. G. Truhlar, J. Am. Chem. Soc. 113, 826 (1991).
25. W.-P. Hu and D. G. Truhlar, J. Am. Chem. Soc. 116, 7797 (1994).
26. E. Cortes, B. J. West, and K. Lindenberg, J. Chem. Phys. 82, 2708 (1985).
27. K. Lindenberg and B. J. West, The Nonequilibrium Statistical Mechanics of Open and Closed Systems (VCH, New York, 1990).
28. M. Nagaoka, Y. Okuno, and T. Yamabe, J. Chem. Phys. 97, 8143 (1992).
29. M. Nagaoka, Y. Okuno, N. Yoshida, and T. Yamabe, Int. J. Quantum Chem. 51, 519 (1994).
30. M. Nagaoka, N. Yoshida, and T. Yamabe, Int. J. Quantum Chem. (in press).
31. M. Nagaoka, N. Yoshida, and T. Yamabe, J. Mol. Liquids 65/66, 289 (1995).
32. Y. Okuno, Dissertation, Kyoto University, 1992.
33. W. J. Hehre, L. Radom, P. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
34. R. Daudel, G. Leroy, D. Peeters, and M. Sana, Quantum Chemistry (Wiley, New York, 1983).
35. M. W. Wong, M. J. Frisch, and K. B. Wiberg, J. Am. Chem. Soc. 113, 4776 (1991).
36. M. W. Wong, K. B. Wiberg, and M. J. Frisch, J. Am. Chem. Soc. 114, 523 (1992).
37. E. B. Wilson, J. C. Decius, and P. C. Cross, Molecular Vibrations (Dover, New York, 1955).
38. W. H. Miller, N. C. Handy, and J. E. Adams, J. Chem. Phys. 72, 99 (1980).
39. S. Hayashi, K. Ando, and S. Kato, J. Phys. Chem. 99, 955 (1995).
40. B. J. Gertner, K. R. Wilson, and J. T. Hynes, J. Chem. Phys. 90, 3537 (1989).
41. M. Nagaoka, Y. Okuno, T. Yamabe, and K. Fukui, Int. J. Quantum Chem. 42, 889 (1992).
42. M. Nagaoka, Y. Okuno, and T. Yamabe, J. Am. Chem. Soc. 113, 769 (1991).
43. M. Nagaoka, Y. Okuno, T. Yamabe, and K. Fukui, Can. J. Chem. 70, 377 (1992).
44. M. Nagaoka, Y. Okuno, and T. Yamabe, Chem. Phys. Lett. 196, 197 (1992).
45. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
46. Molecular Dynamics Simulation of Statistical-Mechanical Systems, edited by G. Ciccoti and W. G. Hoover (North-Holland, Amsterdam, 1986).
47. D. Li and G. A. Voth, J. Phys. Chem. 95, 10425 (1991).
48. P. O. Löwdin, Adv. Quantum Chem. 2, 213 (1965).
49. J. L. Andres, A. Lledos, and J. Bertran, Chem. Phys. Lett. 223, 23 (1994).
50. R. A. Poirier, D. Yu, and P. R. Surjan, Can. J. Chem. 69, 1589 (1991).