Estimating the heats of formation of hydrocarbon radicals by a semiempirical calculation

ACS Division of Fuel Chemistry, Preprints

Volumn 44, Issue 3, 1999, Pages 523-525

  Ma, Xiaoliang ^a   Schobert, Harold H ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Heat of formation; Hydrocarbon radical; Molecular simulation

Indexed keywords

EID: 0032795152     PISSN: 05693772     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Article

References (12)

1. Lias, S. G.; Bartmess, J. E.; Liebmen, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17.
2. Wayner, D. D. M.; Griller, D. Free Radi. Thermochem.; Tanner, D. D. Ed.; JAI Press Inc.: London, 1990; Vol. 1, pp 159-192.
3. Seakins, P.; Pilling, M. J. J. Phys. Chem. 1992, 96, 9847-9855.
4. Benson, S. W. Thermochemical Kinetics; John Wiley & Sons: New York, London, Sydney, Toronto, 1976.
5. McMillen, D. F.; Golden, D. M. Ann. Rev. Phys. Chem. 1982, 33, 493-522.
6. Dewar, M. J. S.; Storch, D. M. J. Am. Chem. Soc. 1985, 107, 3898.
7. Stewart, J. J. P. J. Comp. Chem. 1989, 10, 209-220.
8. Stewart, J. J. P. J. Comp. Chem. 1989, 10, 221-264.
9. Camaioni, D. M.; Autrey, S. T.; Salinas, T. B.; Franz, J. A. J. Am. Chem. Soc. 1996, 118, 2013-2022.
10. Tsang, W. J. Am. Chem. Soc. 1985, 107, 2872-2880.
11. Freund, H. and Olmstead, W. N. Intern. J. Chem. Kine. 1989, 21, 561-574.
12. Tsang, W. J. Phys. Chem. 1986, 90, 1152-1155.