Gallium compounds, a possible problem for the G2 approaches

Journal of Chemical Physics

Volumn 110, Issue 4, 1999, Pages 1879-1881

  Bauschlicher Jr , Charles W ^a   Melius, Carl F ^b   Allendorf, Mark D ^b  

^a NASA AMES RESEARCH CENTER   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000796510     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477851     Document Type: Article

References (26)

1. L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
2. L. A. Curtiss, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 98, 1293 (1993).
3. L. A. Curtiss, M. P. McGrath, J.-P. Blaudeau, N. E. Davis, R. C. Binning, and L. Radom, J. Chem. Phys. 103, 6104 (1995).
4. C. W. Bauschlicher and H. Partridge, J. Chem. Phys. 103, 1788 (1995).
5. C. W. Bauschlicher, J. Phys. Chem. (in press).
6. C. F. Melius and M. D. Allendorf (unpublished).
7. C. A. Richards, Y. Yamaguchi, S.-J. Kim, and H. F. Schaefer, J. Chem. Phys. 104, 8516 (1996).
8. B. J. Duke and L. Radom, J. Chem. Phys. 109, 3352 (1998).
9. M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984), and references therein.
10. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
11. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. 98, 11 623 (1994).
12. R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).
13. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
14. C. E. Moore, National Bureau of Standards (U.S.) Circ. 467, 1949.
15. P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993).
16. J. D. Watts, J. Gauss, and R. J. Bartlett, J. Chem. Phys. 98, 8718 (1993).
17. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
18. R. A. Kendall, T. H. Dunning, and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
19. D. E. Woon, K. A. Peterson, and T. H. Dunning (unpublished).
20. T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 106, 9639 (1997).
21. J. M. L. Martin, Chem. Phys. Lett. 259, 669 (1996).
22. MOLPRO 96 is a package of ab initio programs written by H.-J. Werner and 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, and P. R. Taylor. The closed shell CCSD program is described in C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992).
23. 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, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
24. D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, and R. J. Nuttall, J. Phys. Chem. Ref. Data 11 Suppl. 2, 1 (1982).
25. Thermodynamic Properties of Individual Substances, edited by L. V. Gurvich, I. V. Veyts, and C. B. Alcock (CRC Press, Boca Raton, 1994). Vol. 3.
26. K. P. Huber and G. Herzberg. Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).