Theoretical study of the dynamics of H + alkane reactions

Chemical Physics Letters

Volumn 467, Issue 4-6, 2009, Pages 243-248

  Layfield, Joshua P ^a   Troya, Diego ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANGULAR DISTRIBUTION; HYDROCARBONS; PARAFFINS;

ALKANE MOLECULES; ALKANE SYSTEMS; DIRECT QUASICLASSICAL TRAJECTORIES; OPACITY FUNCTIONS; REACTION DYNAMICS; SEMIEMPIRICAL;

DYNAMICS;

EID: 57749114363     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.11.047     Document Type: Article

References (36)

1. Greaves S.J., Kim J., Orr-Ewing A.J., and Troya D. Chem. Phys. Lett. 441 (2007) 171
2. Alexander M.H., Capecchi G., and Werner H.-J. Science 296 (2002) 715
3. Camden J.P., et al. J. Am. Chem. Soc. 127 (2005) 11898
4. Valentini J.J. J. Phys. Chem. A 106 (2002) 5745
5. Teslja A., and Valentini J.J. J. Chem. Phys. 125 (2006) 132304
6. Germann G.J., Huh Y.-D., and Valentini J.J. J. Chem. Phys. 96 (1992) 1957
7. Germann G.J., Huh Y.-D., and Valentini J.J. Chem. Phys. Lett. 183 (1991) 353
8. Camden J.P., Bechtel H.A., and Zare R.N. Angew. Chem. Int. Ed. 42 (2003) 5227
9. Hu W., et al. J. Phys. Chem. A 110 (2006) 3017
10. Camden J.P., et al. J. Phys. Chem. A 110 (2006) 677
11. Camden J.P., Bechtel H.A., Brown D.J.A., and Zare R.N. J. Chem. Phys. 123 (2005) 134301
12. Espinosa-Garcia J. J. Phys. Chem. A 111 (2007) 5792
13. Espinosa-Garcia J. J. Chem. Phys. 116 (2002) 10664
14. Rangel C., Sanson J., Corchado J.C., and Espinosa-Garcia J. J. Phys. Chem. A 110 (2006) 10715
15. Wu T., Werner H.-J., and Manthe U. J. Chem. Phys. 124 (2006) 164307
16. van Harrevelt R., Nyman G., and Manthe U. J. Chem. Phys. 126 (2007) 084303
17. Palma J., Echave J., and Clary D.C. J. Phys. Chem. A 106 (2002) 8256
18. Huarte-Larranaga F., and Manthe U. J. Chem. Phys. 116 (2002) 2863
19. Huarte-Larranaga F., and Manthe U. J. Chem. Phys. 113 (2000) 5115
20. Bowman J.M., Wang D., Huang X., Huarte-Larranaga F., and Manthe U. J. Chem. Phys. 114 (2001) 9683
21. Jordan M.J.T., and Gilbert R.G. J. Chem. Phys. 102 (1995) 5669
22. Zhang X., Braams B.J., and Bowman J.M. J. Chem. Phys. 124 (2006) 021104
23. Warnatz J. In: Gardiner J.W.C. (Ed). Combustion Chemistry (1990), Springer-Verlag, New York 19
24. Raff L.M. J. Chem. Phys. 60 (1974) 2220
25. Althorpe S.C., Fernandez-Alonso F., Bean B.D., Ayers J.D., Pomerantz A.E., Zare R.N., and Wrede E. Nature 416 (2002) 67
26. Germann G.J., Huh Y.-D., and Valentini J.J. J. Chem. Phys. 96 (1992) 5746
27. Oldershaw G.A., and Gould P.L. J. Chem. Soc., Faraday Trans. 2 81 (1985) 1507
28. Layfield J.P., Owens M.D., and Troya D. J. Chem. Phys. 128 (2008) 194302
29. Xie Z., Bowman J.M., and Zhang X. J. Chem. Phys. 125 (2006) 133120
30. Simpson W.R., Rakitzis T.P., Kandel S.A., Lev-On T., and Zare R.N. J. Phys. Chem. 100 (1996) 7938
31. Simpson W.R., Rakitzis T.P., Kandel S.A., Orr-Ewing A.J., and Zare R.N. J. Chem. Phys. 103 (1995) 7313
32. Kandel S.A., Rakitzis T.P., Lev-On T., and Zare R.N. J. Chem. Phys. 105 (1996) 7550
33. Varley D.F., and Dagdigian P.J. Chem. Phys. Lett. 255 (1996) 393
34. Varley D.F., and Dagdigian P.J. J. Phys. Chem. 100 (1996) 4365
35. Ahlswede B., and Jug K. J. Comput. Chem. 20 (1999) 563
36. W.L. Hase et al., Venus96: A General Chemical Dynamics Computer Program, 1996.