A theoretical study of reactions on the CIHCN surface

Journal of Physical Chemistry

Volumn 100, Issue 24, 1996, Pages 10123-10130

  Harding, Lawrence B ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000586865     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp960490a     Document Type: Article

References (29)

1. de Juan, J.; Callister, S.; Reisler, H.; Segal, G. A.; Wittig, C. J. Chem. Phys. 1988, 89, 1977.
2. Sims, I. R.; Smith, I. W. M. J. Chem. Soc., Faraday Trans. 2 1989, 85, 915.
3. Frost, M. J.; Smith, I. W. M.; Spencer-Smith, R. D. J. Chem. Soc., Faraday Trans. 2 1993, 89, 2355.
4. (a) Metz, R. B.; Pfeiffer, J. M.; Thoemke, J. D.; Crim, F. F. Chem. Phys. Lett. 1994, 221, 347.
5. (b) Pfeiffer, J. M.; Metz, R. B.; Thoemke, J. D.; Woods, E., III; Crim, F. F. J. Chem. Phys. 1996, 104, 4490.
6. Krehr, C.; Theinl, R.; Gericke, K.-H. J. Chem. Phys. 1996, 104, 4481.
7. Seakins, P. W.; Leone, S. R. J. Phys. Chem. 1992, 96, 4478.
8. Slagle, I. R.; Kalinovski, I. J.; Gutman, D.; Hording, L. B. J. Phys. Chem., submitted for publication.
9. ter Horst, M. A.; Schatz, G. C.; Harding, L. B. J. Chem. Phys., submittted for publication.
10. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
11. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1993, 98, 1358.
12. Langhoff, S. R.; Davidson, E. R. Int. J. Quantum Chem. 1974, 8, 61.
13. Silver, D. W.; Davidson, E. R. Chem. Phys. Lett. 1978, 52, 403.
14. Shepard, R.; Shavitt, I.; Pitzer, R. M.; Comeau, D. C.; Pepper, M.; Lischka, H.; Szalay, P. G.; Ahlrichs, R.; Brown, F. B.; Zhao, J.-G. Int. J. Quantum Chem. 1988, 522, 149.
15. Lee, T. J.; Dateo, C. E.; Gradzy, B.; Bowman, J. M. J. Phys. Chem. 1993, 97, 8937.
16. Bowman, J. M.; Gradzy, B.; Bentley, J. A.; Lee, T. J.; Dateo, C. E. J. Chem. Phys. 1993, 99, 308.
17. Strey, G.; Mills, I. M. Mol. Phys. 1973, 26, 129.
18. Creswell, R. A.; Robiette, A. G. Mol. Phys. 1978, 36, 869.
19. Meyer, F.; Dupre, J.; Meyer, C.; Koivussaari, M.; Blanquet, G. Mol. Phys. 1994, 83, 741.
20. Lee, T. J.; Martin, J. M. L.; Dateo, C.; Taylor, P. R. J. Phys. Chem. 1995, 99, 15858.
21. A third transition state, leading to HCNCl, may exist; however, the HCNCl minimum is so shallow that it was not possible to locate the transition state leading to it.
22. Macdonald, R. G., private communication.
23. Harding, L. B.; Wagner, A. F.; Bowman, J. M.; Schatz, G. C.; Cristoffel, K. J. Phys. Chem. 1982, 86, 4312.
24. Harding, L. B.; Wagner, A. F. J. Phys. Chem. 1986, 90, 2974.
25. Saebo, S.; Radom, L.; Schaefer, H. F., III J. Chem. Phys. 1983, 78, 845.
26. Bair, R. A.; Dunning, T. H., Jr. J. Chem. Phys. 1985, 82, 2280.
27. Wagner, A. F.; Bair, R. A. Int. J. Chem. Kinet. 1986, 18, 473.
28. Schatz, G. C. J. Phys. Chem. 1995, 99, 516.
29. Schatz, G. C., private communication.