Initial rotational quantum state excitation and isotopic effects for the o(1d)+hcl→ oh+cl (ocl+h) reaction

Journal of Theoretical and Computational Chemistry

Volumn 8, Issue SUPPL. 1, 2009, Pages 1003-1024

  Yang, Huan ^a   Han, Ke Li ^a   Nanbu, Shinkoh ^b   Balint Kurti, Gabriel G ^c   Zhang, Hong ^d   Smith, Sean C ^d   Hankel, Marlies ^d  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b KYUSHU UNIVERSITY   (Japan)

^c UNIVERSITY OF BRISTOL   (United Kingdom)

^d UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Boltzmann average; Isotopic effects; OHCl; Quantum reactive scattering; Real wavepacket approach

Indexed keywords

EID: 77149150317     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633609005209     Document Type: Article

References (38)

1. Basco N, Norrish RGW, Proc R Soc Lond Ser A 260, 1961.
2. Luntz AC, J Chem Phys 73:5393, 1980.
3. Wine PH, Wells JR, Ravishankara AR, J Chem Phys 84:1349, 1986.
4. Kruus EJ, Niefer BI, Sloan JJ, J Chem Phys 88:985, 1988.
5. Park CR, Wiesenfeld JR, Chem Phys Lett 163:230, 1989.
6. Balucani N, Beneventi L, Casavecchia P, Volpi GG, Chem Phys Lett 180:34, 1991.
7. Matsumi Y, Tonokura K, Kawasaki M, Tsuji K, Obi K, J Chem Phys 98:8330, 1993.
8. Matsumi Y, Shamsuddin SM, Kawasaki M, J Chem Phys 101:8262, 1994.
9. Matsumi Y, Shamsuddin SM, J Chem Phys 103:4490, 1995.
10. Alexander AJ, Brouard M, Rayner SP, Simons JP, Chem Phys 207:215, 1996.
11. Kohguchi H, Suzuki T, Chem Phys Chem 7:1250, 2006.
12. Kohguchi H, Suzuki T, Nanbu S, Ishida T, Mil'nikov GV, Oloyede P, Nakamura H, J Phys Chem A 112:818, 2008.
13. Schinke R, J Chem Phys 80:5510, 1984.
14. Lagaǹa A, Ochoa de Aspuru G, Gracia E, J Phys Chem 99:17139, 1995.
15. Herńandez ML, Redondo C, Lagaǹa A, Ochoa de Aspuru G, Rosi M, Sgamellotti A, J Chem Phys 105:2710, 1996.
16. Skokov S, Peterson KA, Bowman JM, J Chem Phys 109:2662, 1998.
17. Alvariño JM, Bolloni A, Herńandez ML, Lagaǹa A, J Phys Chem A 102:10199, 1998.
18. Skokov S, Qi J, Bowman JM, Yang C-Y, Gray SK, Peterson KA, Mandelshtam VA, J Chem Phys 109:10273, 1998.
19. Alvariño JM, Rodŕiguez A, Lagaǹa A,Herńandez ML, Chem Phys Lett 313:199, 1999.
20. Peterson KA, Skokov S, Bowman JM, J Chem Phys 111:7446, 1999.
21. Christoffel KM, Kim Y, Skokov S, Bowman JM, Gray SK, Chem Phys Lett 315:275, 1999.
22. Mart́inez T, Herńandez ML, Alvariño JM, Lagaǹa A, Aoiz FJ,Meńendez M, Verdasco E, Phys Chem Chem Phys 2:589, 2000.
23. Lin SY, Han K-L, Zhang JZH, Phys Chem Chem Phys 2:2529, 2000.
24. Lin SY, Han K-L, Zhang JZH, Chem Phys Lett 324:122, 2000.
25. Bittererov́a M, Bowman JM, J Chem Phys 113:1, 2000.
26. Bittererov́a M, Bowman JM, Peterson K, J Chem Phys 113:6186, 2000.
27. Piermarini V, Balint-Kurti GG, Gray SK, Gög̃tas F, Lagaǹa A, Herńandez ML, J Phys Chem A 105:5743, 2001.
28. Piermarini V, Lagaǹa A, Balint-Kurti GG, Phys Chem Chem Phys 3:4515, 2001.
29. Christoffel KM, Bowman JM, J Chem Phys 116:4842, 2002.
30. Nanbu S, Aoyagi M, Kamisaka H, Nakamura H, Bian W, Tanaka K, J Theor Comput Chem 1:263, 2002.
31. Kamisaka H, Nakamura H, Nanbu S, Aoyagi M, Bian W, Tanaka K, J Theor Comput Chem 1:275, 2002.
32. Kamisaka H, Nakamura H, Nanbu S, Aoyagi M, Bian W, Tanaka K, J Theor Comput Chem 1:285, 2002.
33. Lin SY, Park SC, Bull Korean Chem Soc 23:229, 2002.
34. Gög̃tas F, Bulut N, Akpinar S, J Mol Struc 625:177, 2003.
35. Mart́inez T, Herńandez ML, Alvariño JM, Aoiz FJ, Śaez Ŕabanos V, J Chem Phys 119:7871, 2003.
36. Bian W, Poirier B, J Chem Phys 121:4467, 2004.
37. Yang H, Han K-L, Nanbu S, Nakamura H, Balint-Kurti GG, Zhang H, Smith SC, Hankel M, J Chem Phys 128:014308, 2008.
38. Yang H, Han K-L, Nanbu S, Nakamura H, Balint-Kurti GG, Zhang H, Smith SC, Hankel M, J Phys Chem A 112:7947, 2008.