Quasiclassical trajectory study of fast H-atom collisions with acetylene

Journal of Chemical Physics

Volumn 136, Issue 21, 2012, Pages

  Han, Yong Chang ^a   Sharma, Amit R ^a,b   Bowman, Joel M ^a  

^a EMORY UNIVERSITY   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX FORMATIONS; NEW PRODUCT; QUASICLASSICAL TRAJECTORIES; QUASICLASSICAL TRAJECTORY CALCULATIONS; REACTIVE CHEMICALS; VINYL COMPLEXES;

CALCULATIONS; ENERGY TRANSFER; LIGHTING; QUANTUM CHEMISTRY;

ACETYLENE;

ACETYLENE; HYDROGEN;

ARTICLE; CHEMISTRY; ENERGY TRANSFER; QUANTUM THEORY;

ACETYLENE; ENERGY TRANSFER; HYDROGEN; QUANTUM THEORY;

EID: 84862561511     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4728069     Document Type: Article

References (21)

1. D. C. Tardy and B. S. Rabinovitch, Chem. Rev. 77, 369 (1977). 10.1021/cr60307a004
2. I. Oref and D. C. Tardy, Chem. Rev. 90, 1407 (1990). 10.1021/cr00106a003
3. R. E. Weston Jr. and G. W. Flynn, Ann. Rev. Phys. Chem. 43, 559 (1992). 10.1146/annurev.pc.43.100192.003015
4. Highly Excited Molecules: Relaxation, Reaction, and Structure, edited by, A. S. Mullin, and, G. C. Schatz, ACS symposium series 678 (American Chemistry Society, 1997).
5. G. W. Flynn, C. S. Parmenter, and A. M. Wodtke, J. Phys. Chem. 100, 12817 (1996). 10.1021/jp953735c
6. See, e.g., T. H. McGee, R. E. Weston Jr., and G. W. Flynn, J. Chem. Phys. 82, 3607 (1985). 10.1063/1.448893
7. See, e.g., G. C. McBane, S. H. Kable, P. L. Hauston, and G. C. Schatz, J. Chem. Phys. 94, 1141 (1991). 10.1063/1.460020
8. See, e.g., L. M. Cousins and S. R. Leone, J. Chem. Phys. 86, 6731 (1987). 10.1063/1.452372
9. See, e.g., S. Datta, R. E. Weston Jr., and G. W. Flynn, J. Chem. Phys. 80, 4071 (1984). 10.1063/1.447288
10. See, e.g., D. Troya and G. C. Schatz, Int. Rev. Phys. Chem. 23, 341 (2004). 10.1080/0144235042000298484
11. See, e.g., T. K. Minton, J. Zhang, D. J. Garton, and J. W. Seale, High Perform. Polym. 12, 27 (2000). 10.1088/0954-0083/12/1/303
12. See, e.g., A. L. Brunsvold, D. J. Garton, T. K. Minton, D. Troya, and G. C. Schatz, J. Chem. Phys. 121, 11702 (2004). 10.1063/1.1815271
13. 2S followed by time resolved IR emission., Dynamics of Molecular Collisions 2011, Snowbird Utah (Poster).
14. P. W. Barnes, I. R. Sims, I. W. M. Smith, G. Lendvay, and G. C. Schatz, J. Chem. Phys. 115, 4586 (2001), and references therein. 10.1063/1.1389304
15. A. R. Sharma, B. J. Braams, S. Carter, B. C. Shelper, and J. M. Bowman, J. Chem. Phys. 130, 174301 (2009). 10.1063/1.3120607
16. A. R. Sharma, J. M. Bowman, and D. J. Nesbitt, J. Chem. Phys. 136, 034305 (2012). 10.1063/1.3666987
17. C. Chen, B. Braams, D. Y. Lee, J. M. Bowman, P. L. Houston, and D. Stranges, J. Phys. Chem. A 115, 6797 (2011). 10.1021/jp109344g
18. W. L. Hase, Encyclopedia of Computational Chemistry (Wiley, New York, 1998), pp. 399-407.
19. V. Bernshtein and I. Oref, J. Chem. Phys. 125, 133105 (2006). 10.1063/1.2207608
20. A. Fahr and A. H. Laufer, J. Phys. Chem. 92, 7229 (1988). 10.1021/j100337a014
21. G. Lendvay and G. C. Schatz, J. Phys. Chem. 96, 3752 (1992). 10.1021/j100188a035