Theoretical thermochemistry of the 1-buten-3-yn-1-yl radical and its chloro derivatives

Journal of Physical Chemistry A

Volumn 103, Issue 51, 1999, Pages 11465-11468

  Cioslowski, Jerzy ^a   Liu, Guanghua ^a   Moncrieff, David ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000164946     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993013b     Document Type: Article

References (21)

1. Colket, M. B., III; Seery, D. J. Combust. Flame 1989, 75, 343 and references therein.
2. Duran, R. P.; Amorebieta, V. T.; Colussi, A. J. Int. J. Chem. Kinet. 1989, 21, 947.
3. Ghibaudi, E.; Colussi, A. J. J. Phys. Chem. 1988, 92, 5839.
4. Duran, R. P.; Amorebieta, V. T.; Colussi, A. J. J. Phys. Chem. 1988, 92, 636.
5. Benson, S. W. Int. J. Chem. Kinet. 1992, 24, 217.
6. Kiefer, J. H. Int. J. Chem. Kinet. 1993, 25, 215 and references therein.
7. Lindstedt, R. P.; Skevis, G. Combust. Sci. Technol. 1997, 125, 73.
8. Leung, K. M.; Lindstedt, R. P. Combust. Flame 1995, 102, 129.
9. Westmoreland, P. R.; Dean, A. M.; Howard, J. B.; Longwell, J. P. J. Phys. Chem. 1989, 93, 8171 and references therein.
10. Chang, W. D.; Senkan, S. M. Environ. Sci. Technol. 1989, 23, 442.
11. Taylor, P. H.; Tirey, D. A.; Rubey, W. A.; Dellinger, B. Combust. Sci. Technol. 1994, 101, 75.
12. Tirey, D. A.; Taylor, P. H.; Kasner, J.; Dellinger, B. Combust. Sci. Technol. 1990, 74, 137.
13. Wang, H.; Frenklach, M. J. Phys. Chem. 1994, 98, 11465.
14. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian, Inc.: Pittsburgh, PA, 1995.
15. Berkowitz, J.; Ellison, G. B.; Gutman, D. J. Phys. Chem. 1994, 98, 2744.
16. Kolesov, V. P.; Papina, T. S. Russ. Chem. Rev. 1983, 52, 425;
17. 2C=CHCl.
18. Cioslowski, J.; Liu, G.; Moncrieff, D. J. Am. Chem. Soc. 1997, 119, 11452.
19. Roth, W. R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R. Chem. Ber. 1991, 124, 2499.
20. Pedley, J. B.; Naylor, R. D.; Kirby, S. P. Thermochemical Data of Organic Compounds, 2nd ed.; Chapman and Hall: New York, 1986.
21. Chase, M. W.; Davies, C. A.; Downey, J. R.; Frurip, D. R.; McDonald, R. A.; Syverud, A. N. JANAF Thermochemical Tables, 3rd ed. J. Phys. Chem. Ref. Data 1985, 1, 14 (Suppl. 1).