NH (X3 σ) +H/D (S2) →h (S2) +NH/ND (X3 σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model

Journal of Chemical Physics

Volumn 131, Issue 12, 2009, Pages

  Li, Zheng ^a   Xie, Daiqian ^a   Sun, Zhigang ^b,d   Zhang, Dong H ^b   Lin, Shi Ying ^c   Guo, Hua ^c  

^a NANJING UNIVERSITY   (China)

^b INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^c UNIVERSITY OF NEW MEXICO   (United States)

^d DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; DIFFERENTIAL CROSS SECTION; EXCHANGE REACTION; FORMING MECHANISM; INTEGRAL CROSS-SECTIONS; PRODUCT STATE DISTRIBUTIONS; QUANTUM SCATTERING; QUANTUM STATE; QUANTUM STATISTICAL MODEL; REACTIVE SCATTERING; ROTATIONAL EXCITATION; STATISTICAL MODELS;

CHEMICAL REACTIONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS;

SCATTERING;

EID: 70349630074     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3241134     Document Type: Article

References (38)

1. B. S. Haynes, Combust. Flame 0010-2180 28, 81 (1977). 10.1016/0010-2180(77)90010-4
2. B. S. Haynes, Combust. Flame 0010-2180 28, 113 (1977). 10.1016/0010-2180(77)90017-7
3. C. Morley, Sym. (Int.) Combust., [Proc.] 18, 23 (1981). 10.1016/S0082-0784(81)80007-0
4. L. Adam, W. Hack, H. Zhu, Z. -W. Qu, and R. Schinke, J. Chem. Phys. 0021-9606 122, 114301 (2005). 10.1063/1.1862615
5. Z. -W. Qu, H. Zhu, R. Schinke, L. Adam, and W. Hack, J. Chem. Phys. 0021-9606 122, 204313 (2005). 10.1063/1.1899563 (Pubitemid 40858486)
6. L. Adam, W. Hack, G. C. McBane, H. Zhu, Z. -W. Qu, and R. Schinke, J. Chem. Phys. 0021-9606 126, 034304 (2007). 10.1063/1.2409926 (Pubitemid 46146432)
7. L. A. Pederson, G. C. Schatz, T. -S. Ho, T. Hollebeek, H. Rabitz, L. B. Harding, and G. Lendvay, J. Chem. Phys. 0021-9606 110, 9091 (1999). 10.1063/1.478830
8. A. J. C. Varandas and L. A. Poveda, Theor. Chem. Acc. 1432-881X 116, 404 (2006). 10.1007/s00214-006-0092-6 (Pubitemid 44286521)
9. S. Zhou, D. Xie, S. Y. Lin, and H. Guo, J. Chem. Phys. 0021-9606 128, 224316 (2008). 10.1063/1.2939016
10. J. C. Light, J. Chem. Phys. 0021-9606 40, 3221 (1964). 10.1063/1.1724989
11. P. Pechukas and J. C. Light, J. Chem. Phys. 0021-9606 42, 3281 (1965). 10.1063/1.1696411
12. W. H. Miller, J. Chem. Phys. 0021-9606 52, 543 (1970). 10.1063/1.1673020
13. E. J. Rackham, F. Huarte-Larranaga, and D. E. Manolopoulos, Chem. Phys. Lett. 0009-2614 343, 356 (2001). 10.1016/S0009-2614(01)00707-2 (Pubitemid 33632245)
14. E. J. Rackham, T. Gonzalez-Lezana, and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 119, 12895 (2003). 10.1063/1.1628218
15. S. Y. Lin and H. Guo, J. Chem. Phys. 0021-9606 120, 9907 (2004). 10.1063/1.1756584
16. S. Y. Lin and H. Guo, J. Phys. Chem. A 1089-5639 108, 10060 (2004). 10.1021/jp0471655
17. S. Y. Lin and H. Guo, J. Chem. Phys. 0021-9606 122, 074304 (2005). 10.1063/1.1851500 (Pubitemid 41042209)
18. M. H. Alexander, E. J. Rackham, and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 121, 5221 (2004). 10.1063/1.1779574
19. T. Gonzalez-Lezana, A. Aguado, M. Paniagua, and O. Roncero, J. Chem. Phys. 0021-9606 123, 194309 (2005). 10.1063/1.2118567
20. L. Banares, F. J. Aoiz, T. Gonzalez-Lezana, V. J. Herrero, and I. Tanarro, J. Chem. Phys. 0021-9606 123, 224301 (2005). 10.1063/1.2131075
21. N. Balucani, P. Casavecchia, L. Banares, F. J. Aoiz, T. Gonzalez-Lezana, P. Honvault, and J. -M. Launay, J. Phys. Chem. A 1089-5639 110, 817 (2006). 10.1021/jp054928v (Pubitemid 43164675)
22. F. J. Aoiz, T. Gonzalez-Lezana, and V. S. Rabanos, J. Chem. Phys. 0021-9606 129, 094305 (2008). 10.1063/1.2969812
23. T. Gonzalez-Lezana, Int. Rev. Phys. Chem. 0144-235X 26, 29 (2007). 10.1080/03081070600933476
24. S. Atahan and M. H. Alexander, J. Phys. Chem. A 1089-5639 110, 5436 (2006). 10.1021/jp055860m
25. S. Y. Lin and H. Guo, J. Phys. Chem. A 1089-5639 110, 5305 (2006). 10.1021/jp0556299
26. S. Y. Lin, E. J. Rackham, and H. Guo, J. Phys. Chem. A 1089-5639 110, 1534 (2006). 10.1021/jp053555v (Pubitemid 43235719)
27. A. L. Van Wyngarden, K. A. Mar, K. A. Boering, J. J. Lin, Y. T. Lee, S. -Y. Lin, H. Guo, and G. Lendvay, J. Am. Chem. Soc. 0002-7863 129, 2866 (2007). 10.1021/ja0668163 (Pubitemid 46417962)
28. P. Bargueno, T. Gonzalez-Lezana, P. Larregaray, L. Bonnet, J. -C. Rayez, M. Hankel, S. C. Smith, and A. J. H. M. Meijer, J. Chem. Phys. 0021-9606 128, 244308 (2008). 10.1063/1.2944246
29. M. Jorfi, P. Honvault, P. Bargueno, T. Gonzalez-Lezana, P. Larregaray, L. Bonnet, and P. Halvick, J. Chem. Phys. 0021-9606 130, 184301 (2009). 10.1063/1.3128537
30. Z. Sun, X. Lin, S. -Y. Lee, and D. H. Zhang, J. Phys. Chem. A 1089-5639 113, 4145 (2009). 10.1021/jp810512j
31. Z. Sun, S. -Y. Lee, H. Guo, and D. H. Zhang, J. Chem. Phys. 0021-9606 130, 174102 (2009). 10.1063/1.3126363
32. R. C. Mowrey, J. Chem. Phys. 0021-9606 94, 7098 (1991). 10.1063/1.460243
33. J. C. Light and T. Carrington, Jr., Adv. Chem. Phys. 0065-2385 114, 263 (2000). 10.1002/9780470141731.ch4
34. R. N. Zare, J. Chem. Phys. 0021-9606 40, 1934 (1964). 10.1063/1.1725425
35. S. Gomez-Carrasco and O. Roncero, J. Chem. Phys. 0021-9606 125, 054102 (2006). 10.1063/1.2218337 (Pubitemid 44188392)
36. H. Guo, Rev. Comput. Chem. 1069-3599 25, 285 (2007). 10.1002/ 9780470189078.ch7
37. D. G. Truhlar, J. Am. Chem. Soc. 0002-7863 97, 6310 (1975). 10.1021/ja00855a004
38. G. C. McBane (private communication).