Potential energy surfaces for the Ta++C2 reaction

Journal of Chemical Physics

Volumn 106, Issue 10, 1997, Pages 4008-4012

  Roszak, S ^a,b   Balasubramanian, K ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0013015713     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473118     Document Type: Article

References (22)

1. S. W. McElvany and C. J. Cassady, J. Phys. Chem. 94, 2057 (1990).
2. F. J. Kohl and C. A. Stearns, High Temp. Sci. 6, 284 (1974).
3. C. J. Cassady and S. W. McElvany, J. Am. Chem. Soc. 112, 4788 (1990).
4. D. C. Parent and S. W. McElvany, J. Am. Chem. Soc. 111, 2393 (1983).
5. K. A. Gingerich, in Current Topics in Materials Science, edited by E. Kaldis (North-Holland, Amsterdam, 1980), Vol. 6, p. 347.
6. M. Pelino, R. Hague, L. Bencivenni, and K. A. Gingerich, J. Phys. Chem. 88, 6534 (1988).
7. B. O. Roos, in Methods of Computational Molecular Physics, edited by G. F. H. Dierksen and S. Wilson (Reidel, Dordrecht, 1978).
8. S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).
9. J. Baker, J. Comput. Chem. 7, 385 (1985).
10. H. B. Schlegel, J. Comput. Chem. 3, 214 (1982).
11. R. B. Ross, J. M. Powers, T. Atashroo, W. C. Ermler, L. A. LaJohn, and P. A. Christiansen, J. Chem. Phys. 93, 6654 (1990).
12. L. F. Pacios and P. A. Christiansen, J. Phys. Chem. 82, 2664 (1985).
13. T. H. Dunning, Jr. and P. J. Hay, in Methods of Electronic Structure Theory, edited by H. F. Schaefer III (Plenum, New York, 1977), p. 1.
14. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, J. Comput. Chem. 14, 1347 (1993).
15. The major authors of ALCHEMY II are B. Lengsfield, B. Lu, and M. Yoshimine.
16. K. Balasubramanian, Chem. Phys. Lett. 127, 585 (1986).
17. K. Balasubramanian, J. Chem. Phys. 87, 5731 (1988).
18. W. A. Chupka, J. Berkowitz, C. F. Giese, and M. G. Inghram, J. Chem. Phys. 62, 611 (1958).
19. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1943).
20. R. R. Schrock, Acc. Chem. Res. 12, 98 (1979).
21. C. E. Moore, Atomic Energy Levels (Nat. Bur. Stand., Washington, D.C., 1971), Vol. 3.
22. K. Raghavachari and J. S. Binkley, J. Chem. Phys. 87, 2191 (1987).