Cross sections and rate constants for triatomic and tetraatomic reactions: Three-dimensional quantum mechanical calculations

Springer Series in Chemical Physics

Volumn 61, Issue , 1996, Pages 125-143

  Baer, M ^a   Szichman, H ^a   Rosenman, E ^b   Hochman Kowal, S ^b   Persky, A ^b  

^a SOREQ NUCLEAR RESEARCH CENTER   (Israel)

^b BAR ILAN UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 26944475218     PISSN: 01726218     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-3-642-80299-7_9     Document Type: Article

References (41)

1. Warnatz, J. and Jäger W., (Eds.) Complex Chemical Reaction Systems: Mathematical Modelling and Simulation, Springer Series in Chem. Phys. (Berlin, Heidelberg, Springer-Verlag, 1987), Vol. 47.
2. Miller, J. and Fisk, G.A., Chem. Eng. News 1987,65, 22.
3. Basevich, V. Ya., Prog. Energy Combust. Sei. 1987,13, 199.
4. Miller, J., Kee, R.J. and Westbrook C.K., Annu. Rev. Phys. Chem. 1990,41, 345.
5. Schuck, E.A. and Stephens, E.R., Environ. Sei. 1969,1,73.
6. a) Levine, R.D. and Bernstein, R.B., Molecular Reaction Dynamics and Chemical Reactivity (Oxford Univ. Press, Oxford, 1987);
7. b) GerlachMayer, U., Kleinermanns, K., Linnebach, E. and Wolfrum, J., J. Chem. Phys. 1987,86, 3047;
8. c) Bigeleisen, J., Klein, F.S., Weston, R.E. and Wolfsberg, M., J. Chem. Phys. 1959, 30, 1340;
9. d) Lillich, H., Schuck, A., Volpp, H.-R., Wolfrum, J. and Naik, P.D., 25th Symposium (Int.) on Combustion, The Combustion Institute, Pittsburgh, 1994, p. 993;
10. e) Miller, J.A. and Bowman, C. T., Prog. Energy Combust. Sei. 1989, 15, 287;
11. f) Hack, W., Wagner, H.Gg. and Zasypkin, A., Ber. Bunsenges. Phys. Chem. 1994, 98, 156;
12. g) Wagner, H.Gg., and Zctzsch, C, Bcr. Bunsenges. Phys. Chem. 1972,76, 526;
13. h) Atkinson, R., Baulch, D.L., Cox, R.A., Hampson, R.F., Jr., Kerr, J.A. and Troe, J., J. Phys. Chem. Ref. Data 1989,18, 881.
14. a) Wagner, H.Gg., Warnatz, J. and Zetzsch, C., Ber. Bunsenges. Phys. Chem. 1971, 75, 119;
15. b)Wurzberg, E. and Houston, P.L., J. Chem. Phys. 1980, 72, 4811;
16. c) Heidner, R.F., Bolt, J.F., Gardner, C.E. and Meizer, I.E., J. Chem. Phys. 1980,72,4815;
17. d) Stevens, P.S., Brune, W.H. and Anderson, J.G., J. Phys. Chem. 1989, 93,4068;
18. e) Persky, A., J. Chem. Phys. 1973, 59, 3612, 5578.
19. a) McCrumb, J.L. and Kaufman, F., J. Chem. Phys. 1972, 57, 1270;
20. b) Davis, D.D., Wong, W. and Lephardt, J., Chem. Phys. Lett. 1973, 22, 273;
21. c) West, G.A., Weston, R.E. Jr. and Flynn, G.W., Chem. Phys. Lett. 1978, 56, 429;
22. d) Wine, P.H., Nicovich, J.M., Thompson, R.L. and Ravishankara, A.R., J. Phys. Chem. 1983, 87, 3948;
23. e) Chekin, S.K., Gershenzon, Y.M., Konoplyov, A.V. and Rozenshtein, V.B., Chem. Phys. Lett. 1979, 68,386.
24. Truhlar, D.G., Isaacson, A.D., Garret, B.C., in Theory of Chemical Reaction Dynamics, Ed. Baer, M. (CRC press, Inc. Boca-Raton, FL, 1985) Vol. IV, Chap. 2.
25. Child, M.S., in Theory of Chemical Reaction Dynamics, Ed. Baer, M. (CRC press, Inc. Boca-Raton, FL, 1985) Vol. III, Chap. 3.
26. Levine, R.D., in Theory of Chemical Reaction Dynamics, Ed. Baer, M. (CRC press, Inc. Boca-Raton, FL, 1985) Vol. IV, Chap. 1.
27. Troe, J., in State-Selected and State-To-State Ion Molecule Reaction Dynamics, Eds. Baer, M. and Ng. C-Y. (John Wiley & Sons, Inc. N.Y., 1992), Vol. II, Chap. 8.
28. Raff, L.M. and Thompson, D.L. in Theory of Chemical Reaction Dynamics, Ed. Baer, M. (CRC press, Inc. Boca-Raton, FL, 1985) Vol. III, Chap. 1.
29. a) Billing, G.D., Comput. Phys. Rept. 1984,1, 237;
30. b) Billing, G.D., Chem. Phys. 1990,146, 63.
31. Pollak, E., in Theory of Chemical Reaction Dynamics, Ed. Baer, M. (CRC press, Inc. Boca-Raton, FL, 1985) Vol. III, Chap. 2.
32. a) Kuppermann, A., Schatz, G.G. and Baer, M., J. Chem. Phys. 1976, 65, 4596;
33. b) Webster, F. and Light, J.C., J. Chem. Phys. 1989, 90, 265, 300;
34. c) Pack, R.T. and Parker, G.A., J. Chem. Phys. 1987, 87, 3888;
35. d) Zhang, J.H.Z., Kouri, D.J., Haug, K., Schwenke, D. W., Shima, Y. and Truhlar, D.G., J. Chem. Phys. 1988, 88, 2492;
36. e) Zhang, J.H.Z. and Miller, W.H., J. Chem. Phys. 1988, 88, 3888;
37. f) Baer, M., J. Chem. Phys. 1989, 90, 3048;
38. g) Schatz, G.G., Amaee, B. and Connor, J.N.L., J. Chem. Phys. 1990, 92,4893;
39. h) Mohan, V. and Sathyamourthy, N., Comput. Phys. Rep. 1988, 7,7317.
40. Bowman, J.M., (Ed.), Advances in Molecular Vibrations and Collision Dynamics (JAI Press Inc. Greenwich Conn., 1994) Vol. I, II.
41. Kulander, K.C. (Ed.), Computer Physics Communications, (North-Holland Physics Publishing, Netherland, 1991), Vol. 63.