Bonding investigation of the ground and low-lying states of the titanium boride cation, TiB+

Journal of Physical Chemistry A

Volumn 102, Issue 29, 1998, Pages 5982-5992

  Kalemos, Apostolos ^a   Mavridis, Aristides ^a  

^a UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001633571     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981088u     Document Type: Article

References (27)

1. (a) Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry; Veillard, Ed.; NATO ASI; 1985.
2. (b) Veillard, A. Chem. Rev. 1991, 91, 743.
3. Moore, C. E. Atomic Energy Levels; NSRDS-NBS Circular No. 35; U.S. GPO: Washington, DC, 1971.
4. Langhoff, S. R.; Bauschlicher, C. W., Jr. Annu. Rev. Phys. Chem. 1988, 39, 213.
5. See for instance the review article by Harrison, J. F.; Kunze, K. L. Organometallic Ion Chemistry; Freiser, B. S., Ed.; Kluwer Academic Publishers: Dordrecht, 1996, and references therein, in particular collected refs 1-6.
6. Kalemos, A.; Mavridis, A. Adv. Quantum Chem., in press.
7. Bauschlicher, C. W., Jr. Theor. Chim. Acta 1995, 92, 183.
8. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
9. Bartlett, R. J, Annu. Rev. Phys. Chem. 1981, 32, 359.
10. Duch, W.; Diercksen, G. H. F. J. Chem. Phys. 1994, 101, 3018.
11. Werner, H.-J.; Knowles, P. J. J Chem. Phys. 1988, 89, 5803. Knowles, P. J.; Werner, H.-J. Chem. Phys. Lett. 1988, 145, 514; Werner, H.-J.; Reinsch, E. A. J. Chem. Phys. 1982, 76, 3144. Werner, H.-J. Adv. Chem. Phys. 1987, LXIX, 1.
12. Werner, H.-J.; Knowles, P. J. J Chem. Phys. 1988, 89, 5803. Knowles, P. J.; Werner, H.-J. Chem. Phys. Lett. 1988, 145, 514; Werner, H.-J.; Reinsch, E. A. J. Chem. Phys. 1982, 76, 3144. Werner, H.-J. Adv. Chem. Phys. 1987, LXIX, 1.
13. Werner, H.-J.; Knowles, P. J. J Chem. Phys. 1988, 89, 5803. Knowles, P. J.; Werner, H.-J. Chem. Phys. Lett. 1988, 145, 514; Werner, H.-J.; Reinsch, E. A. J. Chem. Phys. 1982, 76, 3144. Werner, H.-J. Adv. Chem. Phys. 1987, LXIX, 1.
14. Werner, H.-J.; Knowles, P. J. J Chem. Phys. 1988, 89, 5803. Knowles, P. J.; Werner, H.-J. Chem. Phys. Lett. 1988, 145, 514; Werner, H.-J.; Reinsch, E. A. J. Chem. Phys. 1982, 76, 3144. Werner, H.-J. Adv. Chem. Phys. 1987, LXIX, 1.
15. Docken, K.; Hinze, J. J. Chem. Phys. 1972, 57, 4928.
16. Werner, H.-J.; Meyer, W. J. Chem. Phys. 1981, 74, 5794.
17. MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlof, R. D. Amos, A. Berning, M. J. O. Deegan, F. Eckert, S. T. Elbert, C. Hambel, R. Lindh, W. Meyer, A. Nicklass, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, M. E. Mura, P. Pulay, M. Schuetz, H. Stoll, T. Thorsteinsson, and D. L. Cooper.
18. 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, S22, 149.
19. (a) Hay, J. J Chem. Phys. 1977, 66, 4377.
20. (b) Koga, T.; Tatewaki, H.; Thakkar. A. J. J. Chem. Phys. 1994, 100, 8140.
21. Partridge, H. J. Chem. Phys. 1989, 90, 1043.
22. Roothaan, C. C. J. Rev. Mod. Phys. 1951, 23, 69.
23. Blomberg, M. R. A.; Sieghbahn, P. E. M. J. Chem. Phys. 1983, 78, 5682.
24. Kunze, K. L.; Harrison, J. F. J. Phys. Chem. 1989, 93, 2983.
25. Mavridis, A.; Alvarado-Swaisgood, E.; Harrison, J. F. J. Phys. Chem. 1986, 90, 2584.
26. Clemmer, D. E.; Sunderlin, L. S.; Armentrout, P. B. J. Phys. Chem. 1990, 94, 3008.
27. Sunderlin, L. S.; Armentrout, P. B. J. Phys. Chem. 1988, 92, 1209.