An approximation for hindered rotor state energies

Chemical Physics Letters

Volumn 383, Issue 1-2, 2004, Pages 203-207

  Barker, John R ^a   Shovlin, Colleen N ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CALCULATION; ENERGY YIELD; EVALUATION; INTERMETHOD COMPARISON; OSCILLATORY POTENTIAL; PARTITION COEFFICIENT; REACTION ANALYSIS; THERMODYNAMICS;

EID: 0348110576     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.11.024     Document Type: Article

References (31)

1. Nielsen H.H. Phys. Rev. 40:1932;445.
2. Truhlar D.G. J. Comput. Chem. 12:1991;266.
3. Knyazev V.D., Dubinsky I.A., Slagle I.R., Gutman D. J. Phys. Chem. 98:1994;5279.
4. Knyazev V.D. J. Phys. Chem. A. 102:1998;3916.
5. McClurg R.B., Flagan R.C., Goddard W.A. III J. Chem. Phys. 106:1997;6675.
6. Robinson P.J., Holbrook K.A. Unimolecular Reactions. 1972;Wiley- Interscience, New York.
7. Forst W. Theory of Unimolecular Reactions. 1973;Academic Press, New York.
8. Gilbert R.G., Smith S.C. Theory of Unimolecular and Recombination Reactions. 1990;Blackwell Scientific, Oxford.
9. Holbrook K.A., Pilling M.J., Robertson S.H. Unimolecular Reactions. 1996;Wiley, Chichester.
10. Pitzer K.S., Gwinn W.D. J. Chem. Phys. 10:1942;428.
11. McClurg R.B. J. Chem. Phys. 108:1998;1748.
12. Knyazev V.D. J. Chem. Phys. 111:1999;7161.
13. McClurg R.B. J. Chem. Phys. 111:1999;7163.
14. McClurg R.B. J. Chem. Phys. 111:1999;7165.
15. Troe J. J. Chem. Phys. 66:1977;4758.
16. Pitzer K.S. J. Chem. Phys. 5:1937;469.
17. Troe J. Chem. Phys. 190:1995;381.
18. Beyer T., Swinehart D.F. Comm. Assoc. Comput. Machines. 16:1973;379.
19. Stein S.E., Rabinovitch B.S. J. Chem. Phys. 58:1973;2438.
20. Van Speybroeck V., Van Neck D., Waroquier M., Wauters S., Saeys M., Marin G.B. J. Phys. Chem. A. 104:2000;10939.
21. Van Speybroeck V., Borremans Y., Van Neck D., Waroquier M., Wauters S., Saeys M., Marin G.B. J. Phys. Chem. A. 105:2001;7713.
22. Van Speybroeck V., Van Neck D., Waroquier M. J. Phys. Chem. A. 106:2002;8945.
23. Vanteenkiste P., Van Speybroeck V., Marin G.B., Waroquier M. J. Phys. Chem. A. 107:2003;3139.
24. Abramowitz M., Stegun I.A. Handbook of Mathematical Functions With Formulas, Graphs, and Mathematical Tables. 1964;U.S. Government printing Office, Washington DC.
25. McQuarrie D.A. Statistical Mechanics. 1976;Harper & Row, New York.
26. Crawford B.L. Jr. J. Chem. Phys. 8:1940;273.
27. Koehler J.S., Dennison D.M. Phys. Rev. 57:1940;1006.
28. Waage E.V., Rabinovitch B.S. Int. J. Chem. Kinetics. 3:1971;105.
29. Mohr P.J., Taylor B.N. J. Phys. Chem. Ref. Data. 28:1999;1723.
30. East A.L.L., Radom L. J. Chem. Phys. 106:1997;6655.
31. Barker J.R. Int. J. Chem. Kinetics. 33:2001;232.