Electronic relaxation dynamics of Ni 2+ -ion aqueous solution: Molecular-dynamics simulation

Journal of Chemical Physics

Volumn 123, Issue 2, 2005, Pages

  Iuchi, Satoru ^a,b   Morita, Akihiro ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC RELAXATION DYNAMICS; HARMONIC-OSCILLATOR MODEL; NONADIABATIC TRANSITIONS; QUANTUM DECOHERENCE;

CHEMICAL RELAXATION; COMPUTER SIMULATION; ELECTRONS; MOLECULAR DYNAMICS; OSCILLATORS (ELECTRONIC); PHASE TRANSITIONS; POSITIVE IONS; QUANTUM THEORY; SOLUTIONS;

NICKEL;

EID: 23444442521     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1949212     Document Type: Article

References (33)

1. R. A. Kuharski, J. S. Bader, D. Chandler, M. Sprik, M. L. Klein, and R. W. Impey, J. Chem. Phys. 89, 3248 (1988).
2. J. Blumberger, L. Bernasconi, I. Tavernelli, R. Vuilleumier, and M. Sprik, J. Am. Chem. Soc. 126, 3928 (2004).
3. G. Chillemi, P. D'Angelo, N. V. Pavel, N. Sanna, and V. Barone, J. Am. Chem. Soc. 124, 1968 (2002).
4. Y. Inada, A. M. Mohammed, H. H. Loeffler, and B. M. Rode, J. Phys. Chem. A 106, 6783 (2002).
5. Y. Inada, H. H. Loeffler, and B. M. Rode, Chem. Phys. Lett. 358, 449 (2002).
6. S. Iuchi, A. Morita, and S. Kato, J. Chem. Phys. 121, 8446 (2004).
7. M. Terazima, J. Chem. Phys. 105, 6587 (1996).
8. E. Neria and A. Nitzan, J. Chem. Phys. 99, 1109 (1993).
9. B. J. Schwartz, E. R. Bittner, O. V. Prezhdo, and P. J. Rossky, J. Chem. Phys. 104, 5942 (1996).
10. O. V. Prezhdo and P. J. Rossky, J. Chem. Phys. 107, 5863 (1997).
11. E. R. Bittner and P. J. Rossky, J. Chem. Phys. 107, 8611 (1997).
12. K. F. Wong and P. J. Rossky, J. Chem. Phys. 116, 8418 (2002).
13. K. F. Wong and P. J. Rossky, J. Chem. Phys. 116, 8429 (2002).
14. O. V. Prezhdo, J. Chem. Phys. 111, 8366 (1999).
15. J. C. Tully, J. Chem. Phys. 93, 1061 (1990).
16. J. S. Griffith, The Theory of Transition-Metal Ions (Cambridge University Press, New York, 1961).
17. H. Nakano, J. Chem. Phys. 99, 7983 (1993).
18. S. Iuchi, A. Morita, and S. Kato, J. Phys. Chem. B 106, 3466 (2002).
19. C. K. Jørgensen, Acta Chem. Scand. (1947-1973) 9, 1362 (1955).
20. M. Dupuis, J. Rys, and H. F. King, J. Chem. Phys. 65, 111 (1976).
21. N. C. Handy and H. F. Schaefer III, J. Chem. Phys. 81, 5031 (1984).
22. J.-Y. Fang and S. Hammes-Schiffer, J. Phys. Chem. A 103, 9399 (1999).
23. M. Thachuk, M. Y. Ivanov, and D. M. Wardlaw, J. Chem. Phys. 109, 5747 (1998).
24. R. Zwanzig, Physica (Amsterdam) 30, 1109 (1964).
25. A. Staib and D. Borgis, J. Chem. Phys. 103, 2642 (1995).
26. K. Ando and S. Kato, J. Chem. Phys. 95, 5966 (1991).
27. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1991).
28. L. Xiao and D. F. Coker, J. Chem. Phys. 100, 8646 (1994).
29. O. V. Prezhdo and P. J. Rossky, Phys. Rev. Lett. 81, 5294 (1998).
30. S. Hammes-Schiffer and J. C. Tully, J. Chem. Phys. 101, 4657 (1994).
31. B. Space and D. F. Coker, J. Chem. Phys. 94, 1976 (1991).
32. I. Ohmine, J. Chem. Phys. 85, 3342 (1986).
33. O. V. Prezhdo and P. J. Rossky, J. Phys. Chem. 100, 17094 (1996).