Theoretical and Experimental (113 K) Electron-Density Study of Lithium Bis(tetramethylammonium) Hexanitrocobaltate(III)

Acta Crystallographica Section B: Structural Science

Volumn 52, Issue 3, 1996, Pages 471-478

  Bianchi, Riccardo ^a   Gatti, Carlo ^a   Adovasio, Victor ^b   Nardelli, Mario ^b  

^a CNR   (Italy)

^b UNIVERSITY OF PARMA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001225797     PISSN: 01087681     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108768195016879     Document Type: Article

References (24)

1. Adovasio, V., Lina, F., Nardelli, M. & Pelizzi, F. (1994). Acta Cryst, C50, 871-874.
2. Bader, R. F. W. (1990). Atom in Molecules: A Quantum Theory, Vol. 22. Oxford: International Series of Monographs on Chemistry.
3. Bader, R. F. W. & Essen, H. (1984) J. Chem. Phys. 80, 1943-1959.
4. Bader, R. F. W. & Zou, P. F. (1992). Chem. Phys. Lett. 191, 54-58.
5. Bader, R. F. W., Slee, T. S., Cremer, D. & Kraka, E. (1983). J. Am. Chem. Soc. 105, 5061-5068.
6. Clementi, E. & Roetti, C. (1974). At. Data Nucl. Data Tables 14, 177-478.
7. Dovesi, R., Saunders, V. R. & Roetti, C. (1992). CRYSTAL92 User Documentation. University of Torino.
8. Gatti, C., Bianchi, R., Destro, R. & Merati, F. (1992). J. Mol. Struct. (Theochem.) 255, 409-433.
9. Gatti, C., MacDougall, P. J. & Bader, R. F. W. (1988). J. Chem. Phys. 88, 3792-3804.
10. Gatti, C., Saunders, V. R. & Roetti, C. (1993). 5th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics, p. 83. Como (Italy), 13-16 September.
11. Gatti, C., Saunders, V. R. & Roetti, C. (1994). J. Chem. Phys. 101, 10686-10696.
12. Hehre, W. J., Ditchfield, R., Stewart, R. F. & Pople, J. A. (1970). J. Chem. Phys. 51, 2769-2773.
13. Hehre, W. J., Radom, L., Schleyer, P. V. R. & Pople, J. A. (1986). Ab Initio Molecular Orbital Theory. New York: Wiley.
14. Howard, S. T., Hursthouse, M. B., Lenmann, C. W. & Poyner, E. A. (1995). Acta Cryst. B51, 328-337.
15. Iwata, M. & Saito, Y. (1973). Acta Cryst. B29, 822-832.
16. Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.,
17. Morooka, M., Ohba, S., Saito, Y. & Miyamae, H. (1991). Acta Cryst. B47, 910-917.
18. Ohba, S., Toriumi, K., Sato, S. & Saito, Y. (1978). Acta Cryst. B34, 3535-3542.
19. Pisani, C., Dovesi, R. & Roetti, C. (1988). Hartree-Fock ab initio treatment of crystalline systems, Lecture Notes in Chemistry, Vol. 48. Berlin: Springer.
20. Ruedenberg, K. & Schwarz, W. H. E. (1990). J. Chem. Phys. 92, 4956-4969.
21. Saito, Y. (1979). Inorganic Molecular Dissymmetry. New York: Springer-Verlag.
22. Stewart, R. F. (1976). Acta Cryst. A32, 565-574.
23. Stewart, R. F. & Spackman, M. A. (1983). VALRAY User's Manual. Department of Chemistry, Carnegie-Mellon University, Pittsburgh.
24. Tsirelson, V. G., Zou, P. F., Tang, T. H. & Bader, R. F. W. (1995). Acta Cryst. A51, 143-153.