Theoretical study of ScCO2+

International Journal of Quantum Chemistry

Volumn 63, Issue 2, 1997, Pages 523-528

  Sodupe, Mariona ^a   Branchadell, Vicenç ^a   Oliva, Antonio ^a   Bertran, Juan ^a   Oliva, A ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

Ab initio; Co2; Density functional; Transition metal

Indexed keywords

EID: 0039784749     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)63:2<523::AID-QUA21>3.0.CO;2-7     Document Type: Article

References (18)

1. (a) B. S. Freiser, Ed. Organametallic Ion Chemistry (Kluwer, Dordrecht, 1995).
2. (b) C. W. Bauschlicher, Jr. and S. R. Langhoff, Int. Rev. Phys. Chem. 9, 149 (1990), and referenoes therein.
3. A. Behr, Carbon Dioxide Activation by Metal Complexes (VCH, New York, 1988).
4. (a) M. R. Sievers and P. B. Armentrout, J. Chem. Phys. 102, 754 (1995).
5. (b) D. E. Lessen, R. L. Asher, and P. J. Brucat, J. Chem. Phys. 95, 1414 (1991).
6. R. L. Asher, D. Bellert, T. Buthelezi, G. Weerasekera, and P. J. Brucat Chem. Phys. Lett 228, 390 (1994).
7. R. L. Asher, D. Bellert, T. Buthelezi, and P. J. Brucat, Chem. Phys. Lett. 227, 623 (1994).
8. M. Sodupe, V. Branchadell, and A. Oliva, J. Phys. Chem. 99, 8567 (1995).
9. M. Sodupe, V. Branchadell, and A. Oliva, J. Mol. Struct. (Thochem), accepted.
10. D. P. Chong and S. R. Langhoff, J. Chem. Phys. 84, 5606 (1986). See also R. Ahlrichs, P. Scharf, and C. Ehrhardt, J. Chem. Phys. 82, 890 (1985).
11. D. P. Chong and S. R. Langhoff, J. Chem. Phys. 84, 5606 (1986). See also R. Ahlrichs, P. Scharf, and C. Ehrhardt, J. Chem. Phys. 82, 890 (1985).
12. C. E. Moore, Atomic Energy Levels (Natl. Bur. Stand. Circ. [U.S.], 1949), No. 467.
13. (a) M. Sodupe, C. W. Bauschlicher, Jr., and H. Partridge, Chem. Phys. Lett. 192, 185 (1992).
14. (b) C. S. Yeh, K. F. Willey, D. L. Robbins, and M. A. Duncan, J. Phys. Chem. 96, 7833 (1992).
15. L. A. Barnes, M. Rosi, and C. W. Bauschlicher, Jr., J. Chem. Phys. 93, 609 (1990).
16. M. Rosi and C. W. Bauschlicher, J. Chem. Phys. 90, 7264 (1990).
17. S. R. Langhoff, C. W. Bauschlicher, H. Partridge, and M. Sodupe, J. Phys. Chem. 95, 10677 (1991).
18. E. R. Fisher, J. L. Elkind, D. E. Clemmer, R. Georgiadis, S.K. Loh, N. Aristov, L. S. Sunderlin, and P. B. Armentrout J. Chem. Phys. 93, 2676 (1990).