Computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases

Journal of Chemical Physics

Volumn 114, Issue 7, 2001, Pages 2910-2918

  Caratzoulas, Stavros ^a   Schwartz, Steven D ^a  

^a ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; HAMILTONIANS; ISOTOPES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

KINETIC ISOTOPE EFFECTS (KIE); LENNARD-JONES LIQUIDS; ZWANZIG HAMILTONIANS;

MOLECULAR VIBRATIONS;

EID: 0035249366     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1342817     Document Type: Article

References (28)

1. L. Pauling, Nature (London) 161, 707 (1948).
2. A. Kohen and J. Klinman, Acc. Chem. Res. 31, 397 (1998).
3. A. Kohen, R. Cannio, S. Bartolucci, and J. Klinman, Nature (London) 399, 496 (1999).
4. A. Kohen and J. Klinman, J. Am. Chem. Soc. 122, 10738 (2000).
5. B. F. Rasmussen, A. M. Stock, D. Ridge, and G. A. Petsko, Nature (London) 357, 423 (1992).
6. P. M. Rudd, Biochemistry 33, 17 (1994).
7. V. Benderskii, V. Goldanskii, and D. Makarov, Chem. Phys. Lett. 171, 91 (1990).
8. V. Benderskii, V. Goldanskii, and D. Makarov, Chem. Phys. 154, 407 (1991).
9. V. Benderskii, D. Makarov, and D. Pastur, Chem. Phys. 161, 51 (1992).
10. V. Benderskii, D. Makarov, and P. Grinevich, Chem. Phys. 170, 275 (1993).
11. V. Benderskii, D. Makarov, and C. Wight, Adv. Chem. Phys. 88, 1 (1994).
12. D. Borgis and J. T. Hynes, J. Chem. Phys. 94, 3619 (1991).
13. D. Borgis and J. T. Hynes, J. Phys. Chem. 100, 1118 (1996).
14. A. Suarez and R. Silbey, J. Chem. Phys. 94, 4809 (1991).
15. D. Antoniou and S. D. Schwartz, J. Chem. Phys. 108, 3620 (1998).
16. D. Antoniou and S. D. Schwartz, J. Chem. Phys. 109, 2287 (1998).
17. D. Antoniou and S. D. Schwartz, J. Phys. Chem. (submitted).
18. T. Bruice (private communication).
19. K. Ando and J. T. Hynes, J. Phys. Chem. 101, 10464 (1997).
20. R. Zwanzig, J. Stat. Phys. 9, 215 (1973).
21. R. F. Grote and J. T. Hynes, J. Chem. Phys. 73, 2715 (1980).
22. R. F. Grote and J. T. Hynes, J. Chem. Phys. 74, 4465 (1981).
23. G. van der Zwan and J. T. Hynes, J. Chem. Phys. 76, 2993 (1982).
24. G. van der Zwan and J. T. Hynes, J. Chem. Phys. 78, 4174 (1983).
25. G. van der Zwan and J. T. Hynes, Chem. Phys. 90, 21 (1984).
26. E. Pollak, J. Chem. Phys. 85, 865 (1986).
27. H. C. Andersen, J. Comput. Phys. 52, 24 (1983).
28. G. Ciccotti, M. Ferrario, and J. Ryckaert, Mol. Phys. 47, 1253 (1982).