The successive OH binding energies of Sc(OH)+n for n = 1-3

Chemical Physics Letters

Volumn 272, Issue 1-2, 1997, Pages 127-131

  Bauschlicher Jr , Charles W ^a   Partridge, Harry ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031580090     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00480-6     Document Type: Article

References (26)

1. [1] P. Maitre, C.W. Bauschlicher, J. Phys. Chem. 99 (1995) 6836.
2. [2] A. Ricca, C.W. Bauschlicher, J. Phys. Chem. 98 (1994) 12899.
3. [3] C.W. Bauschlicher, Int. J. Quantum Chem. S20 (1986) 563.
4. [4] C.W. Bauschlicher, S.R. Langhoff, H. Partridge, J. Chem. Phys. 84 (1986) 901.
5. [5] H. Partridge, S.R. Langhoff, C.W. Bauschlicher, J. Chem. Phys. 84 (1986) 4489.
6. [6] J.L. Tilson, J.F. Harrison, J. Phys. Chem. 95 (1991) 5097.
7. [7] D.E. Clemmer, N. Aristov, P.B. Armentrout, J. Phys. Chem. 97 (1993) 544.
8. [8] P.J. Stephens, F.J. Devlin, C.F. Chablowski, M.J. Frisch, J. Phys. Chem. 98 (1994) 11623.
9. [9] A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
10. [10] A.J.H. Wachters, J. Chem. Phys. 52 (1970) 1033.
11. [11] P.J. Hay, J. Chem. Phys. 66 (1977) 4377.
12. [12] T.H. Dunning, J. Chem. Phys. 53 (1970) 2823.
13. [13] S. Huzinaga, J. Chem. Phys. 42 (1965) 1293.
14. [14] R.J. Bartlett, Annu. Rev. Phys. Chem. 32 (1981) 359.
15. [15] K. Raghavachari, G.W. Trucks, J.A. Pople, M. Head-Gordon, Chem. Phys. Lett. 157 (1989) 479.
16. [16] P.J. Knowles, C. Hampel, H.-J. Werner, J. Chem. Phys. 99 (1993) 5219.
17. [17] J.D. Watts, J. Gauss, R.J. Bartlett, J. Chem. Phys. 98 (1993) 8718.
18. [18] J. Almlöf, P.R. Taylor, J. Chem. Phys. 86 (1987) 4070.
19. [19] C.W. Bauschlicher, P.R. Taylor, Theor. Chim. Acta 86 (1993) 13.
20. [20] C.W. Bauschlicher, Theor. Chim. Acta 92 (1995) 183.
21. [21] T.H. Dunning, J. Chem. Phys. 90 (1989) 1007.
22. [22] R.A. Kendall, T.H. Dunning, R.J. Harrison, J. Chem. Phys. 96 (1992) 6796.
23. [23] MOLPRO 96 is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from J. Almlöf, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor. The closed shell CCSD program is described in C. Hampel, K. Peterson, H.-J. Werner, Chem. Phys. Lett. 190 (1992) 1.
24. [24] Gaussian 94, Revision D.I, M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
25. [25] C.E. Moore, Atomic energy levels, Natl. Bur. Stand. (US) cire. 467 (1949).
26. [26] A. Ricca, C.W. Bauschlicher, Chem. Phys. Lett. 245 (1995) 150.