Direct dynamics classical trajectory simulations of the O + + CH 4 reaction at hyperthermal energies

Journal of Physical Chemistry B

Volumn 109, Issue 17, 2005, Pages 8431-8438

  Sun, Lipeng ^a   Schatz, George C ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON-OXYGEN BOND; COLLISION ENERGY; HYPERTHERMAL ENERGIES; REACTION DYNAMICS;

CARBON; CHEMICAL BONDS; COMPUTER SIMULATION; ION BEAMS; OXYGEN; POSITIVE IONS; POTENTIAL ENERGY; REACTION KINETICS;

METHANE;

EID: 18844426533     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0454568     Document Type: Article

References (27)

1. Unimolecular and bimolecular ion-molecule reaction dynamics; Ng, C.-Y., Baer, T., Powis, I., Eds.; Wiley & Sons: New York, 1994; p 503.
2. The structure, energetics, and dynamics of organic ions; Baer, T., Ng, C.-Y., Ivan, P., Eds.; Wiley: Chichester, 1996; p 361.
3. State-selected and state-to-state ion-molecule reaction dynamics. Part 2. Theory; Ng, C.-Y., Baer, M., Eds.; Advances in Chemical Physics, Vol. 82; Wiley: New York, 1992; pp 561.
4. Dotan, I.; Viggiano, A. A. J. Chem. Phys. 2001, 114, 6112.
5. Viggiano, A. A.; Dotan, I.; Morris, R. A. J. Am. Chem. Soc. 2000, 122, 352.
6. Zabka, J.; Farnik, M.; Dolejsek, Z.; Polach, J.; Herman, Z. J. Phys. Chem. 1995, 99, 15595.
7. Fisher, E. R.; Armentrout, P. B. J. Chem. Phys. 1991, 94, 1150.
8. Fisher, E. R.; Armentrout, P. B. J. Phys. Chem. 1990, 94, 4396.
9. Curtis, R. A.; Farrar, J. M. J. Chem. Phys. 1985, 83, 2224.
10. Chemical dynamics in extreme environments; Dressler, R. A., Ed.; World Scientific: Singapore, 2001; Vol. 11, p 617.
11. Smith, D.; Spanel, P.; Mayhew, C. A. Int. J. Mass Spectrom. Ion Processes 1992, 117, 457.
12. Smith, D.; Adams, N. G.; Miller, T. M. J. Chem. Phys. 1978, 69, 308.
13. Levandier, D. J.; Chiu, Y.-H.; Dressler, R. A.; Sun, L.; Schatz, G. C. J. Phys. Chem. A 2004, 108, 9794.
14. Minton, T. K.; Tagawa, M.; Nathanson, G. M. J. Spacecr. Rockets 2004, 41, 389.
15. Troya, D.; Schatz, G. C. J. Chem. Phys. 2004, 120, 7696.
16. Troya, D.; Schatz, G. C.; Garton, D. J.; Brunsvold, A. L.; Minton, T. K. J. Chem. Phys. 2004, 120, 731.
17. Troya, D.; Pascual, R. Z.; Schatz, G. C. J. Phys. Chem. A 2003, 107, 10497.
18. Troya, D.; Pascual, R. Z.; Garton, D. J.; Minton, T. K.; Schatz, G. C. J. Phys. Chem. A 2003, 107, 7161.
19. Garton, D. J.; Minton, T. K.; Troya, D.; Pascual, R.; Schatz, G. C. J. Phys. Chem. A 2003, 107, 4583.
20. Yan, T.-Y.; Doubleday, C.; Hase, W. L. J. Phys. Chem. A 2004, 108, 9863.
21. Levandier, D. J.; Chiu, Y. H.; Dressler, R. A. J. Chem. Phys. 2004, 120, 6999.
22. Qin, X.; Tzvetkov, T.; Jacobs, D. C. Nucl. Instrum. Methods Phys. Res., Sect. B 2003, 203, 130.
23. Signorell, R.; Merkt, F. J. Chem. Phys. 1999, 110, 2309.
24. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. Gas-Phase Ion and Neutral Thermal Chemistry. J. Phys. Chem. Ref. Data Suppl. 1988, 17, 861.
25. NIST website http://webbook.nist.gov.
26. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347.
27. Dyke, J.; Lee, E.; Morris, A. J. Chem. Soc., Faraday Trans. 2 1976, 72, 1385.