Theoretical Study of the Deformation Densities of d Electrons in K2[PdCl6] and K2[PtCl6] Crystals

Acta Crystallographica Section B: Structural Science

Volumn 52, Issue 2, 1996, Pages 251-259

  Sakai, Yoshiko ^a   Oshibe, Takashi ^a   Miyoshi, Eisaku ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347919740     PISSN: 01087681     EISSN: None     Source Type: Journal    
DOI: 10.1107/S010876819501202X     Document Type: Article

References (29)

1. Buenker, R. J. & Peyerimhoff, S. D. (1974). Theor. Chim. Acta, 35, 33-58.
2. Coppens, P. & Hall, M. B. (1982). Editors. Electron Distributions and the Chemical Bond. New York: Plenum Press.
3. Cowan, R. D. & Griffin, D. C. (1976). J. Opt. Soc. Am. 66, 1010-1014.
4. Gershgorn, Z. & Shavitt, I. (1968). Int. J. Quantum Chem. 2, 751-759.
5. Huzinaga, S., Andzelm, J., Klobukowksi, M., Radzio-Andzelm, E., Sakai. Y. & Tatewaki, H. (1984). Gaussian Basis Sets for Molecular Calculations. Amsterdam: Elsevier.
6. Johansen, H. (1976). Acta Cryst. A32, 353-355.
7. Kashiwagi, H., Obara, S., Takada, T., Sasaki, F. & Miyoshi, E. (1979). JAMOLA Program Package for HF Calculations.
8. McLean, A. D. & Liu, B (1973). J. Chem. Phys. 58, 1066-1078.
9. Miyoshi, E. (undated). JANIE Program Package for Numerical Integration of Charge Density.
10. Miyoshi, E. & Sakai, Y. (1988a). J. Comput. Chem. 9, 719-727.
11. Miyoshi, E. & Sakai, Y. (1988b). J. Chem. Phys. 89, 7363-7366.
12. Miyoshi, E., Sakai, Y. & Katsuki, S. (1991). Surf. Sci. 242, 531-537.
13. Murakami, A., Iwaki, H., Terashima, H., Shoda, S., Kawaguchi, T. & Noro, T. (undated). MICA3 Program Package for CI Calculations.
14. Ohba, S. & Saito, Y. (1984). Acta Cryst. C40, 1639-1641.
15. Ohba, S., Sato, S., Saito, Y., Ohshima, K. & Harada, J. (1983). Acta Cryst. B39, 49-53.
16. Sakai, Y. & Huzinaga, S. (1982a). J. Chem. Phys. 76, 2537-2551.
17. Sakai, Y. & Huzinaga, S. (1982b). J. Chem. Phys. 76, 2552-2557.
18. Sakai, Y. & Miyoshi, E. Unpublished work.
19. Sakai, Y. & Miyoshi, E. (1987). J. Chem. Phys. 87, 2885-2892.
20. Sakai, Y. & Miyoshi, E. (1988). J. Chem. Phys. 89, 4452-4453.
21. Sakai, Y., Miyoshi, E., Klobukowski, M. & Huzinaga, S. (1987a). J. Comput. Chem. 8, 226-255.
22. Sakai, Y., Miyoshi, E., Klobukowski, M. & Huzinaga, S. (1987b). J. Comput. Chem. 8, 256-264.
23. Sano, M., Hatano, Y., Kashiwagi, H. & Yamatera, H. (1981). Bull. Chem. Soc. Jpn, 54, 1523-1530.
24. Sano, M., Kashiwagi, H. & Yamatera, H. (1982). Inorg. Chem. 21, 3837-3841.
25. Stevens, E. D. & Coppens, P. (1976). Acta Cryst. A32, 915-917.
26. Takazawa, H., Ohba, S. & Saito, Y. (1988). Acta Cryst. B44, 580-585.
27. Takazawa, H., Ohba, S., Saito, Y. & Sano, M. (1990). Acta Cryst. B46, 166-174.
28. Tatewaki, H., Tanaka, K., Sasaki, F., Obara, S., Ohno, K. & Yoshimine, M. (1979). Int. J. Quantum Chem. 15, 533-545.
29. Toriumi, K. & Saito, Y. (1983). Advances in Inorganic Chemistry and Radiochemistry, pp. 27-81. New York: Academic Press.