Molecular dynamics simulations of the vibrational relaxation of I 2 in Xe on an ab initio-based potential function

Chemical Physics Letters

Volumn 383, Issue 3-4, 2004, Pages 326-331

  Li, Shenmin ^a   Thompson, Ward H ^a  

^a UNIVERSITY OF KANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IODINE; XENON;

AB INITIO CALCULATION; ARTICLE; MOLECULAR DYNAMICS; SIMULATION; VIBRATION;

EID: 1642534570     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.11.041     Document Type: Article

References (24)

1. Oxtoby D.W. Adv. Chem. Phys. 47:1981;487.
2. Owrutsky J.C., Raftery D., Hochstrasser R.M. Annu. Rev. Phys. Chem. 45:1994;519.
3. Harris C.B., Smith D.E., Russell D.J. Chem. Rev. 90:1990;481.
4. Whitnell R.M., Wilson K.R., Hynes J.T. J. Phys. Chem. 94:1990;8625.
5. Whitnell R.M., Wilson K.R., Hynes J.T. J. Chem. Phys. 96:1992;5354.
6. Li S., Thompson W.H. J. Phys. Chem. A. 107:2003;8696.
7. Tully J.C. J. Chem. Phys. 93:1990;1061.
8. Hammes-Schiffer S., Tully J.C. J. Chem. Phys. 101:1994;4657.
9. Paige M.E., Harris C.B. Chem. Phys. 149:1990;37.
10. Brown J.K., Harris C.B., Tully J.C. J. Chem. Phys. 89:1988;6687.
11. Larsen R.E., Stratt R.M. J. Chem. Phys. 110:1999;1036.
12. Miller D.W., Adelman S.A. J. Chem. Phys. 117:2002;2672.
13. Adelman S.A., Muralidhar R., Stote R.H. J. Chem. Phys. 95:1991;2738.
14. Egorov S.A., Skinner J.L. J. Chem. Phys. 105:1996;7047.
15. Maitland G.C., Rigby M., Brain S.E., Wakeham W.A. Intermolecular Forces. 1981;Clarendon Press, Oxford.
16. Thakkar A.J., Smith V.H. Jr. Comput. Phys. Commun. 10:1975;73.
17. M.J. Frisch et. al., GAUSSIAN 98, Gaussian Inc., Pittsburgh, PA, 2001.
18. Glukhovtsev M.N., Addy P., McGrath M.P., Leo R. J. Chem. Phys. 103:1995;1878.
19. H. Horn, 1991. Available from http://www.ccl.net/cca/data/basis-sets/ karlsruhe/xe.
20. Bader J.S., Berne B.J. J. Chem. Phys. 100:1994;8359.
21. Hurwitz H. Jr., Zweifel P.F. MTAC. 10:1956;140.
22. Clenshaw C.W., Curtis A.R. Numer. Math. 2:1960;197.
23. National Physical Laboratory: Modern Computing Methods, H.M.S.O., London, 1961.
24. Alaylioglu A., Evans G.A., Hyslop J. J. Comput. Phys. 13:1973;433.