Mixed quantum-classical study of energy transfer in a Na+ collision with a peptide

Journal of Chemical Physics

Volumn 118, Issue 17, 2003, Pages 7846-7856

  Wang, Ming L ^a   Zhang, J Z H ^a,b  

^a NEW YORK UNIVERSITY   (United States)

^b NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ENERGY TRANSFER; IONS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; NUMERICAL ANALYSIS; QUANTUM THEORY;

COLLIDING PARTNERS; PEPTIDE; QUANTUM CLASSICAL STUDY; TORSIONAL MODES; TRANSLATIONAL MOTION;

ORGANIC COMPOUNDS;

EID: 0037501436     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1563610     Document Type: Article

References (30)

1. A. K. Rappe and C. J. Casewit, Molecular Mechanics Across Chemistry (University Science Books, New York, 1997).
2. A. K. Bhuyan and J. B. Udgaokar, Biochemistry 37, 9147 (1998).
3. C. L. Brooks III, M. Karplus, and B. M. Pettitt, Proteins: A Theoretical Perspectives of Dynamics, Structure, and Thermodynamics (Wiley, New York, 1988).
4. G. D. Billing, Chem. Phys. 127, 107 (1988).
5. D. C. Clary and A. J. H. Meijer, J. Chem. Phys. 116, 9829 (2002).
6. W. H. Miller, W. H. Hase, and C. D. Darling, J. Chem. Phys. 91, 2863 (1989).
7. M. Ben-Nun and R. D. Levine, J. Chem. Phys. 105, 8136, (1996).
8. D. H. Zhang and J. Z. H. Zhang, J. Chem. Phys. 99, 5615 (1993).
9. J. Z. H. Zhang, J. Dai, and W. Zhu, J. Phys. Chem. A 101, 2746 (1997).
10. D. H. Zhang and J. C. Light, J. Chem. Phys. 104, 4544 (1996).
11. U. Manthe, T. Seideman, and W. H. Miller, J. Chem. Phys. 99, 10078 (1993).
12. D. Neuhauser, J. Chem. Phys. 100, 9272 (1994).
13. Y. Zhang, D. Zhang, W. Li, Q. Zhang, D. Wang, D. H. Zhang, and J. Z. H. Zhang, J. Phys. Chem. 99, 16824 (1995).
14. R. B. Gerber and M. A. Ratner, J. Phys. Chem. 92, 3252 (1988).
15. N. Balakrishnan and G. D. Billing, Chem. Phys. Lett. 233, 145 (1995).
16. C. Coletti and G. D. Billing, J. Chem. Phys. 113, 11101 (2000).
17. W. H. Thompson, Chem. Phys. Lett. 350, 113 (2001).
18. S. Hammes-Schiffer, J. Phys. Chem. A 102, 10443 (1998).
19. T. Terashima, M. Shiga, and S. Okazaki, J. Chem. Phys. 114, 5663 (2001).
20. L. Wang, W. J. Meurer, and A. B. McCoy, J. Chem. Phys. 113, 10605 (2000).
21. U. Schmitt and J. Brickmann, Chem. Phys. 208, 45 (1996).
22. D. Neuhauser and R. S. Judson, Chem. Phys. Lett. 179, 385 (1991).
23. R. Kosloff, J. Phys. Chem. 92, 2087 (1988).
24. S. Shi and H. Rabitz, J. Chem. Phys. 88, 7508 (1988).
25. E. J. Heller, J. Chem. Phys. 62, 1544 (1975).
26. J. W. Ponder, Tinker-software Tools for Molecular Design, Version 3.9, June 2001.
27. D. A. Pearlman, D. A. Case, J. W. Caldwell, W. S. Ross, T. E. Cheatham III, S. DelBolt, D. Ferguson, G. Seibel, and P. Kollman, Comput. Phys. Commun. 91, 1 (1995).
28. D. A. Varshalovich, A. N. Moskalev, and V. K. Khersonskii, Quantum Theory of Angular Momentum (World Scientific, Singapore, 1988)
29. J. A. Fleck, Jr., J. R. Morris, and M. D. Feit, Appl. Phys. 10, 129 (1976).
30. D. Frenkel and B. Smit, Understanding Molecular Simulation from Algorithm to Applications (Academic, New York, 1996).