Ab initio kinetic study on the low-energy paths of the HO + C 2H4 reaction

Chemical Physics Letters

Volumn 408, Issue 1-3, 2005, Pages 25-30

  Zhu, R S ^a   Park, J ^a   Lin, M C ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARRIER CONCENTRATION; CHEMICAL BONDS; DATA REDUCTION; FREQUENCIES; RATE CONSTANTS; THERMAL EFFECTS;

ENERGY PATHS; KINETIC STUDY; PATHWAYS; TEMPERATURE DEPENDENCE;

REACTION KINETICS;

EID: 18844397879     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.03.133     Document Type: Article

References (32)

1. J. Warnatz, and C. Chevalier W.C. Gardiner Combustion chemistry second edn. 1995 Springer Heidelberg
2. R.P. Wayne Chemistry of the atmospheres second edn. 1994 Oxford University Press Oxford
3. D. Fulle, H.F. Hamann, H. Hippler, and C.P. Jansch Ber. Bunsen. Phys. Chem. 101 1997 1433
4. E.W.G. Diau, and Y.P. Lee J. Chem. Phys. 96 1992 377
5. C.H. Kuo, and Y.P. Lee J. Phys. Chem. 95 1991 1253
6. A. Liu, W.A. Mulac, and C.D. Jonah J. Phys. Chem. 92 1988 3828
7. J.F. Bott, and N. Cohen Int. J. Chem. Kinet. 23 1991 1075
8. R. Zellner, and K. Lorenz J. Phys. Chem. 88 1984 984
9. R. Atkinson, R.A. Perry, and J.N. Pitts Jr. J. Chem. Phys. 66 1977 1197
10. D.D. Davis, S. Fischer, R. Schiff, R.T. Watson, and W. Bolinger J. Chem. Phys. 63 1975 1707
11. N.R. Greiner J. Chem. Phys. 53 1970 1284
12. F.P. Tully Chem. Phys. Lett. 96 1983 148
13. C.J. Howard J. Chem. Phys. 65 1976 4771
14. D.L. Singleton, and R.J. Cvetonovic J. Am. Chem. Soc. 98 1976 6812
15. M. Mozurkewich, and S.W. Benson J. Phys. Chem. 88 1984 6429
16. H. Hippler, and B. Viskolcz Phys. Chem. Chem. Phys. 2 2000 3591
17. S. Sekušak, K.R. Liedl, and A. Sabljič J. Phys. Chem. A 102 1998 1583
18. G.X. Liu, Y.H. Ding, Z.S. Li, Q. Fu, X.R. Huang, C.C. Sun, and A.C. Tang Phys. Chem. Chem. Phys. 4 2002 1021
19. Piqueras, R. Crespo, I. Nebot-Gil, and F. Tomás J. Mol. Struct. 537 2001 199
20. J. Villà, A. González-Lafont, and J.M. Lluch J. Chem. Phys. 107 1997 7266
21. C. Sosa, and H.B. Schlegel J. Am. Chem. Soc. 109 1987 7007
22. C. Sosa, and H.B. Schlegel J. Am. Chem. Soc. 109 1987 4193
23. A.P. Scott, and L. Radom J. Phys. Chem. 100 1996 16502
24. C. Gonzalez, and H.B. Schlegel J. Phys. Chem. 94 1990 5523
25. M.J. Frisch Gaussian 03, Revision B. 01 2003 Gaussian, Inc. Pittsburgh, PA
26. A.M. Mebel, K. Morokuma, and M.C. Lin J. Chem. Phys. 103 1995 7414
27. L.A. Curtiss, K. Raghavachari, P.C. Redfern, V. Rassolov, and J.A. Pople J. Chem. Phys. 109 1988 7764
28. A.G. Baboul, L.A. Curtiss, P.C. Redfern, and K. Raghavachari J. Chem. Phys. 110 1999 7650
29. S.J. Klippenstein, A.F. Wagner, R.C. Dunbar, D.M. Wardlaw, S.H. Robertson, 1999, VARIFLEX: VERSION 1.00
30. D.K. Malick, G.A. Petersson, and J.A. Montgomery Jr. J. Chem. Phys. 108 1998 5704
31. T. Baer, and W.L. Hase Unimolecular reaction dynamics (International Series of Monographs on Chemistry) 1996 Oxford University Press New York
32. H. Hippler, J. Troe, and H.J. Wendelken J. Chem. Phys. 76 1983 6709