Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers

Journal of Chemical Physics

Volumn 110, Issue 20, 1999, Pages 9922-9936

  Guallar, Victor ^a   Batista, Victor S ^a   Miller, William H ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000895582     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478866     Document Type: Article

References (92)

1. V. A. Benderskii, D. E. Makarov, and C. A. Wight, Adv. Chem. Phys. 88, 1 (1994).
2. Y. Cha, C. J. Murray, and J. P. Klinman, Science 243, 1325 (1989).
3. M. E. Tuckerman, D. Marx, M. L. Klein, and M. Parrinello, Science 275, 817 (1997).
4. A. Luzar and D. Chandler, Nature (London) 379, 55 (1996).
5. J. K. Gregory and D. C. Clary, J. Chem. Phys. 105, 6626 (1996).
6. A. Warshel, A. Papazyan, and P. A. Kollman, Science 269, 102 (1995).
7. T. Bountis, in Proton Transfer in Hydrogen-Bonded Systems (Plenum, New York, (1992).
8. W. W. Cleland and M.M. Kreevoy, Science 264, 1887 (1994).
9. P. A. Frey, S. A. Whitt, and J. B. Tobin, Science 264, 1927 (1994).
10. D. F. Brougham, A. J. Horsewill, and R. I. Jenkinson, Chem. Phys. Lett. 272, 69 (1997).
11. L. B. Clark, G. G. Peschel, and I. Tinoco, Jr., J. Phys. Chem. 69, 3615 (1965).
12. M. Fujii, T. Tamura, N. Mikami, and M. Ito, Chem. Phys. Lett. 126, 583 (1986).
13. C. A. Taylor, M. A. El-Bayoumi, and M. Kasha, Proc. Natl. Acad. Sci. USA 63, 253 (1969).
14. M. A. El-Bayoumi, P. Avouris, and W. R. Ware, J. Chem. Phys. 62, 2499 (1975).
15. K. C. Ingham, M. Abu-Elgheit, and M. A. El-Bayoumi, J. Chem. Phys. 93, 5023 (1971).
16. K. C. Ingham and M. A. El-Bayoumi, J. Am. Chem. Soc. 96, 1 (1974).
17. K. Fuke, H. Yoschiuchi, and K. Kaya, J. Phys. Chem. 88, 5840 (1984).
18. K. Fuke and K. Kaya, J. Phys. Chem. 93, 614 (1989).
19. Waluk J. Habilitation Thesis, Warsawa University, 1986.
20. S. J. Formosinho and J. Arnaut, J. Photochem. Photobiol., A 75, 21 (1993).
21. A. Douhal, V. Guallar, M. Moreno, and J. M. Lluch, Chem. Phys. Lett. 256, 370 (1996).
22. J. Waluk, A. Grabowska, and J. Lipinski, Chem. Phys. Lett. 70, 175 (1980).
23. V. I. Pechenaya and V. I. Danilov, Chem. Phys. Lett. 11, 539 (1971).
24. J. Catalan and P. Perez, J. Theor. Biol. 81, 213 (1979).
25. J. Waluk, H. Bulska, A. Grabowska, and A. N. Mordzinski, New J. Chem. 10, 413 (1986).
26. H. Bulska, A. Grabowska, B. Paluka, J. Sepiol, and J. Waluk, J. Lumin. 29, 65 (1984).
27. J. A. Herek, S. Pedersen, L. Banares, and A. H. Zewail, J. Chem. Phys. 97, 9046 (1992).
28. V. K. Babamov and R. A. Marcus, J. Chem. Phys. 74, 1790 (1981).
29. W. M. Hetherington, III, R. H. Micheels, and K. B. Eisenthal, Chem. Phys. Lett. 66, 230 (1979).
30. P. Share, M. Pereira, M. Sarisky, S. Repinec, and R. M. Hochstrasser, J. Lumin. 48, 204-208 (1991).
31. A. Douhal, S. K. Kim, and A. H. Zewail, Nature (London) 378, 260 (1995).
32. S. Takeuchi and T. Tahara, Chem. Phys. Lett. 277, 340 (1997).
33. S. Takeuchi and T. Tahara, J. Phys. Chem. 102, 7740 (1998).
34. R. Lopez Martens, P. Long, D. Solgadi, B. Soep, J. Syage, and Ph. Millie, Chem. Phys. Lett. 273, 219 (1997).
35. M. Chachisvilis, T. Fiebig, A. Douhal, and A. H. Zewail, J. Phys. Chem. 102, 669 (1998).
36. A. Douhal, F. Lahmani, and A. H. Zewail, Chem. Phys. 207, 477 (1996).
37. D. E. Folmer, L. Poth, E. S. Wisniewski, and A. W. Casteleman, Chem. Phys. 291, 101 (1997).
38. J. D. H. Watson and F. H. C. Crick, Nature (London) 171, 737 (1953).
39. P. O. Lowdin, Adv. Quantum Chem. 2, 213 (1965).
40. M. F. Goodman, Nature (London) 378, 237 (1995).
41. J. M. Lehn, in Supramolecular Chemistry: Concepts and Perspectives (VCH, New York, 1995).
42. N. Makri and W. H. Miller, J. Chem. Phys. 91, 4026 (1989).
43. T. Carrington, Jr. and W. H. Miller, J. Chem. Phys. 84, 4364 (1986).
44. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
45. J. Y. Fang and S. Hammes-Schiffer, J. Chem. Phys. 107, 8933 (1997).
46. W. H. Miller, J. Chem. Phys. 62, 1899 (1975).
47. V. A. Benderskii, V. I. Goldanskii, and D. E. Makarov, Phys. Rep. 233, 195 (1993).
48. F. Grossmann and E. J. Heller, Chem. Phys. Lett. 241, 45 (1995).
49. M. F. Herman and E. Kluk, Chem. Phys. 91, 27 (1984).
50. K. G. Kay, J. Chem. Phys. 107, 2313 (1997).
51. H. Ushiyama and K. Takatsuka, J. Chem. Phys. 106, 7023 (1997).
52. B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 79, 4931 (1983).
53. A. Warshel and Z. T. Chu, J. Chem. Phys. 93, 4003 (1990).
54. J. Cao and G. A. Voth, J. Chem. Phys. 101, 6168 (1994).
55. D. Borgis and J. T. Hynes, J. Chem. Phys. 94, 3619 (1991).
56. S. Keshavamurthy and W. H. Miller, Chem. Phys. Lett. 218, 189 (1994).
57. B. Spath and W. H. Miller, J. Chem. Phys. 104, 95 (1996).
58. N. Sato and S. Iwata, J. Chem. Phys. 89, 2932 (1988).
59. R. A. Marcus, J. Chem. Phys. 45, 4493 (1966).
60. W. H. Miller, N. C. Handy, and J. E. Adams, J. Chem. Phys. 72, 788 (1980).
61. K. Fukui, Acc. Chem. Res. 14, 363 (1981).
62. S. A. Adelman and J. D. Doll, J. Chem. Phys. 61, 4242 (1974).
63. M. Shuggard, J. C. Tully, and A. Nitzan, J. Chem. Phys. 66, 2534 (1977).
64. G. C. Schatz, Chem. Phys. 31, 295 (1978).
65. R. A. Marcus, J. Chem. Phys. 46, 959 (1967).
66. T. Carrington, Jr. and W. H. Miller, J. Chem. Phys. 81, 3942 (1984).
67. J. C. D. Brand and Ch. V. S. Ramachandra Rao, J. Mol. Spectrosc. 61, 360 (1976).
68. P. Russegger, Chem. Phys. 41, 299 (1979).
69. P. Russegger, Chem. Phys. Lett. 69, 362 (1980).
70. V. Szalay, J. Mol. Spectrosc. 102, 13 (1983).
71. J. M. Bowman, G. Z. Ju, and K. T. Lee, J. Chem. Phys. 75, 5199 (1981).
72. M. Morillo and R. I. Cukier, J. Chem. Phys. 92, 4833 (1990).
73. A. Suarez and R. Silbey, J. Chem. Phys. 94, 4809 (1991).
74. J. Aqvist and A. Warshel, Chem. Rev. 93, 2523 (1993).
75. D. G Truhlar, Y. P. Liu, G.K. Schenter, and B. C. Garrett, J. Phys. Chem. 98, 8396 (1994).
76. D. Borgis, G. Tarjus, and H. Azzuoz, J. Phys. Chem. 96, 3188 (1992).
77. D. Borgis, G. Tarjus, and H. Azzuoz, J. Phys. Chem. 97, 1390 (1992).
78. D. Laria, G. Ciccoti, M. Ferrario, and R. Kapral, J. Chem. Phys. 97, 378 (1992).
79. A. Fedorowicz, J. Mavri, P. Bala, and A. Koll, Chem. Phys. Lett. 289, 457 (1998).
80. M. T. M. Koper and G. A. Voth, Chem. Phys. Lett. 282, 100 (1998).
81. Y. G. Boroda, A. Calhoun, and G. A. Voth, J. Chem. Phys. 107, 8940 (1997).
82. Yin Guo, A. K. Wilson, C. F. Chabalowski, and D. L. Thompson, J. Chem. Phys. 109, 9258 (1998).
83. Y. Guo, S. Li, and D. L. Thompson, J. Chem. Phys. 107, 2853 (1997).
84. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, in Numerical Recipes (Cambridge University Press, Cambridge, 1986).
85. M. K. Shukla and P. C. Mishra, Chem. Phys. 230, 187 (1998).
86. P. R. Callis, J. Chem. Phys. 95, 4230 (1991).
87. A. Warshel, J. Phys. Chem. 86, 2218 (1982).
88. X. Sun and W. H. Miller, J. Chem. Phys. 106, 6346 (1997).
89. M. J. Frisch, et al., GAUSSIAN94 (Gaussian Inc., Pittsburgh, PA 1995).
90. D. Kincaid and W. Cheney, in Numerical Analysis (Brooks/Cole, Malabar, FL, 1996), p. 335.
91. V. S. Batista and W. H. Miller, J. Chem. Phys. 108, 498 (1998).
92. V. Guallar, V. S. Batista, M. Moreno, J. M. Lluch, and W. H. Miller (in preparation).