Molecular dynamics study of the weakly solvent dependent relaxation dynamics following chlorine dioxide photoexcitation

Journal of Chemical Physics

Volumn 119, Issue 17, 2003, Pages 9111-9120

  Brooksby, Craig ^a   Prezhdo, Oleg V ^a   Reid, Philip J ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL RELAXATION; CHLORINE COMPOUNDS; COMPUTER SIMULATION; DATA REDUCTION; ENERGY GAP; SOLVENTS;

SOLVATION DYNAMICS;

MOLECULAR DYNAMICS;

EID: 0345329996     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1614203     Document Type: Article

References (65)

1. F. S. Rowland, Annu. Rev. Phys. Chem. 42, 731 (1991).
2. S. Solomon, R. W. Sanders, and H. L. Miller, J. Geophys. Res. 95, 13807 (1990).
3. J. B. Burkholder, R. K. Talukdar, and A. R. Ravishankara, Geophys. Res. Lett. 21, 585 (1994).
4. V. Vaida, S. Solomon, E. C. Richard, E. Rühl, and A. Jefferson, Nature (London) 342, 405 (1989).
5. V. Vaida and J. D. Simon, Science 268, 1443 (1995).
6. P. J. Reid, J. Phys. Chem. A 106, 1473 (2002).
7. C. L. Thomsen, M. J. Philpott, S. C. Hayes, and P. J. Reid, J. Chem. Phys. 112, 505 (2000).
8. C. L. Thomsen, P. J. Reid, and S. R. Keiding, J. Am. Chem. Soc. 122, 12795 (2000).
9. S. C. Hayes, C. L. Thomsen, and P. J. Reid, J. Chem. Phys. 115, 11228 (2001).
10. H. F. Davis and Y. T. Lee, J. Chem. Phys. 105, 8142 (1996).
11. W. G. Lawrence, K. C. Clemitshaw, and V. A. Apkarian, J. Geophys. Res. 95, 18591 (1990).
12. R. C. Dunn, B. N. Flanders, and J. D. Simon, J. Phys. Chem. 99, 7360 (1995).
13. J. Thøgersen, P. U. Jepsen, C. L. Thomsen, J. A. Poulsen, J. R. Byberg, and S. R. Keiding, J. Phys. Chem. A 101, 3317 (1997).
14. S. C. Hayes, M. J. Philpott, S. G. Mayer, and P. J. Reid, J. Phys. Chem. A 103, 5534 (1999).
15. A. Esposito, C. E. Foster, R. Beckman, and P. J. Reid, J. Phys. Chem. A 101, 5309 (1997).
16. C. E. Foster and P. J. Reid, J. Phys. Chem. A 102, 3514 (1998).
17. A. P. Esposito, T. Stedl, H. Jónsson, P. J. Reid, and K. A. Peterson, J. Phys. Chem. A 103, 1748 (1999).
18. C. E. Foster, B. P. Barham, and P. J. Reid, J. Chem. Phys. 114, 8492 (2001).
19. S. C. Hayes, C. C. Cooksey, P. M. Wallace, and P. J. Reid, J. Phys. Chem. A 105, 9819 (2001).
20. M. A. Berg, Chem. Phys. Lett. 118, 317 (1994).
21. M. Berg, J. Phys. Chem. A 102, 17 (1998).
22. M. A. Berg, J. Chem. Phys. 110, 8577 (1999).
23. C. Brooksby, O. V. Prezhdo, and P. J. Reid, J. Chem. Phys. 118, 4563 (2003).
24. T. Fonseca and B. M. Ladanyi, J. Mol. Liq. 60, 1 (1994).
25. A. A. Mosyak, O. V. Prezhdo, and P. J. Rossky, J. Chem. Phys. 109, 6390 (1998).
26. D. Aherne, V. Tran, and B. J. Schwartz, J. Phys. Chem. B 104, 5382 (2000).
27. A. B. Myers, Annu. Rev. Phys. Chem. 49, 267 (1998).
28. S. Mukamel, Nonlinear Optical Spectroscopy (Oxford University Press, U.K., 1995).
29. K. A. Peterson, J. Chem. Phys. 109, 8864 (1998).
30. M. P. Allen and D. J. Tildesley, Computer Simulations in Liquids (Oxford University Press, U.K., 1990).
31. W. Jorgensen and J. Tirado-Rives, J. Am. Chem. Soc. 110, 1657 (1988).
32. I. Chorny, J. Vieceli, and I. Benjamin, J. Chem. Phys. 116, 8904 (2002).
33. I. Chorny, J. Vieceli, and I. Benjamin, J. Chem. Phys. 116, 8930 (2002).
34. CRC Handbook of Chemistry and Physics, 62nd ed., edited by D. Lide (CRC, Boca Raton, FL, 1981).
35. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNoIa, and J. R. Hauk, J. Chem. Phys. 81, 3684 (1984).
36. A. D. MacKerell, Jr., J. Wiorkeiwicz-Kuczera, and M. Karplus, J. Am. Chem. Soc. 117, 11946 (1995).
37. A. D. MacKerell, Jr., D. Bashford, and M. Bellott et al., J. Phys. Chem. B 102, 3586 (1998).
38. B. R. Brooks, R. Bruccoleri, B. Olafson, D. States, S. Swaminathan, and M. Karplus, J. Comput. Chem. 4, 187 (1983).
39. J. E. Eksterowicz, J. L. Miller, and P. A. Kollman, J. Phys. Chem. B 101, 10971 (1997).
40. T. Fox and P. A. Kollman, J. Phys. Chem. B 102, 8070 (1998).
41. H. C. Andersen, J. Comput. Phys. 52, 24 (1983).
42. M. L. Connolly, J. Appl. Crystallogr. 16, 548 (1983).
43. M. L. Connolly, J. Am. Chem. Soc. 107, 1118 (1985).
44. M. M. Martins and H. Stassen, J. Chem. Phys. 118, 5558 (2003).
45. W. C. Swope, H. C. Andersen, P. H. Berens, and K. R. Wilson, J. Chem. Phys. 76, 637 (1986).
46. U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 103, 8577 (1995).
47. M. J. Dudek, K. Ramnarayan, and J. W. Ponder, J. Comput. Chem. 19, 548 (1998).
48. B. J. Schwartz and P. J. Rossky, J. Chem. Phys. 101, 6902 (1994).
49. B. J. Schwartz and P. J. Rossky, Phys. Rev. Lett. 72, 3282 (1994).
50. B. J. Schwartz, E. R. Bittner, O. V. Prezhdo, and P. J. Rossky, J. Chem. Phys. 104, 5942 (1996).
51. O. V. Prezhdo and P. J. Rossky, J. Phys. Chem. 100, 17094 (1996).
52. O. V. Prezhdo and P. J. Rossky, J. Chem. Phys. 107, 5863 (1997).
53. W. S. Sheu and P. J. Rossky, J. Am. Chem. Soc. 115, 7729 (1993).
54. W. S. Sheu and P. J. Rossky, Chem. Phys. Lett. 213, 233 (1993).
55. V. Tran and B. J. Schwartz, J. Chem. Phys. 103, 5570 (1999).
56. R. M. Whitnell, K. R. Wilson, and J. T. Hynes, J. Phys. Chem. 91, 3349 (1987).
57. O. V. Prezhdo and Y. V. Pereverzev, J. Chem. Phys. 113, 6557 (2000).
58. C. Brooksby and O. V. Prezhdo, Chem. Phys. Lett. 346, 463 (2001).
59. O. V. Prezhdo and Y. V. Pereverzev, J. Chem. Phys. 116, 4450 (2002).
60. E. Pahl and O. V. Prezhdo, J. Chem. Phys. 116, 8704 (2002).
61. O. V. Prezhdo, J. Chem. Phys. 117, 2995 (2002).
62. V. Chernyak and S. Mukamel, J. Chem. Phys. 114, 10430 (2001).
63. O. V. Prezhdo and P. J. Rossky, Phys. Rev. Lett. 81, 5294 (1998).
64. C. Brooksby and O. V. Prezhdo, Chem. Phys. Lett. 378, 533 (2003).
65. O. V. Prezhdo and C. Brooksby, J. Mol. Struct.: THEOCHEM 630, 45 (2003).