Interpolated potential energy surface and classical dynamics for H 3++HD and H3++D2

Journal of Chemical Physics

Volumn 119, Issue 11, 2003, Pages 5510-5517

  Moyano, Gloria E ^a   Collins, Michael A ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY;

POTENTIAL ENERGY SURFACES (PES);

DEUTERIUM;

EID: 0141956294     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1599339     Document Type: Article

References (35)

1. T. J. Millar, Planet. Space Sci. 50, 1189 (2002).
2. J. Tennyson, Rep. Prog. Phys. 58, 421 (1995).
3. H. Roberts, E. Herbst, and T. J. Millar, Mon. Not. R. Astron. Soc. 336, 283 (2002).
4. D. Gerlich and S. Schlemmer, Planet. Space Sci. 50, 1287 (2002).
5. N. G. Adams and D. Smith, Astrophys. J. 248, 373 (1981).
6. C. H. Douglass, G. Ringer, and W. R. Gentry, J. Chem. Phys. 76, 2423 (1982).
7. K. Giles, N. G. Adams, and D. Smith, J. Phys. Chem. 96, 7645 (1992).
8. M. L. Vestal, C. R. Blakley, P. W. Ryan, and J. H. Futrell, J. Chem. Phys. 64, 2094 (1976).
9. D. Gerlich, E. Herbst, and E. Roueff, Planet. Space Sci. 50, 1275 (2002).
10. S. A. Sandford, Planet. Space Sci. 50, 1145 (2002).
11. R. Ahlrichs, Theor. Chim. Acta 39, 149 (1975).
12. P. Bokes, I. Stich, and L. Mitas, Int. J. Quantum Chem. 83, 86 (2001).
13. H. Chermette, H. Razafinjanahary, and L. Carrion, J. Chem. Phys. 107, 10643 (1997).
14. H. Muller and W. Kutzelnigg, Phys. Chem. Chem. Phys. 2, 2061 (2000).
15. Y. Yamaguchi, J. F. Gaw, and H. F. Schaefer, J. Chem. Phys. 78, 4074 (1983).
16. E. W. Ignacio and S. Yamabe, Chem. Phys. Lett. 287, 563 (1998).
17. M. Barbatti, G. Jalbert, and M. A. C. Nascimento, J. Chem. Phys. 113, 4230 (2000).
18. R. Prosmiti, A. A. Buchachenko, P. Villarreal, and G. Delgado-Barrio, Theor. Chem. Acc. 106, 426 (2001).
19. V. Spirko, W. P. Kraemer, and P. Soldan, J. Mol, Spectrosc. 183, 218 (1997).
20. M. A. Collins, Theor. Chem. Acc. 108, 313 (2002).
21. J. Ischtwan and M. A. Collins, J. Chem. Phys. 100, 8080 (1994); M. J. T. Jordan, K. C. Thompson, and M. A. Collins, ibid. 103, 9669 (1995).
22. J. Ischtwan and M. A. Collins, J. Chem. Phys. 100, 8080 (1994); M. J. T. Jordan, K. C. Thompson, and M. A. Collins, ibid. 103, 9669 (1995).
23. M. J. T. Jordan, K. C. Thompson, and M. A. Collins, J. Chem. Phys. 102, 5647 (1995); K. C. Thompson and M. A. Collins, J. Chem. Soc., Faraday Trans. 93, 871 (1997).
24. M. J. T. Jordan, K. C. Thompson, and M. A. Collins, J. Chem. Phys. 102, 5647 (1995); K. C. Thompson and M. A. Collins, J. Chem. Soc., Faraday Trans. 93, 871 (1997).
25. R. P. A. Bettens and M. A. Collins, J. Chem. Phys. 111, 816 (1999).
26. K. Hiraoka, J. Chem. Phys. 87, 4048 (1987).
27. K. Hiraoka and T. Mori, J. Chem. Phys. 91, 4821 (1989).
28. M. Yang, D. H. Zhang, M. A. Collins, and S. Y. Lee, J. Chem. Phys. 114, 4759 (2001).
29. G. W. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98 Gaussian, Inc., Pittsburgh, PA, 1998.
30. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Clarendon, Oxford, 1987).
31. H. W. Schranz, S. Nordholm, and G. Nyman, J. Chem. Phys. 94, 1487 (1991).
32. J. I. Steinfeld, J. S. Francisco, and W. L. Hase, Chemical Kinetics and Dynamics (Prentice-Hall, Englewood Cliffs, 1989).
33. J. Rychlewski, Mol. Phys. 41, 833 (1980).
34. W. T. Huntress and V. G. Anicich, Astrophys. J. 208, 237 (1976).
35. See Document No. E-JCPSA6-119-306335 for the data file and software to evaluate the PES. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory/epaps/. See the EPAPS homepage for more information.