New model of the electronic structure of the [Mo6X 8(CN)6]6- clusters (X=S, Se) based on the study of electron density distribution in the inner part of the Mo6 polyhedron

International Journal of Quantum Chemistry

Volumn 100, Issue 4 SPEC. ISS., 2004, Pages 343-351

  Baranovski, V I ^a   Korolkov, D V ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

Clusters; Electron density distribution; Spherical potential well

Indexed keywords

CARRIER CONCENTRATION; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

CLUSTERS; POLYHEDRONS; QUANTUM CHEMICAL METHODS; SPHERICAL POTENTIAL WELLS;

MOLYBDENUM COMPOUNDS;

EID: 7544238799     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20014     Document Type: Conference Paper

References (14)

1. Korolkov, D. V.; Koord Khim 1991, 17, 1455 [in Russian].
2. Parr, R. G.; Yang, W., Eds. Density Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1988.
3. Stevens, W. J.; Basch, H.; Krauss, M.; Jasien, P. Can J Chem 1992, 70, 612.
4. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J Comput Chem 1993, 14, 1347.
5. Mironov, Y. V.; Virovets, A. V.; Naumov, N. G.; Ikorskii, V. N.; Fedorov, V. E. Chemistry 2000, 6, 1361.
6. Hilsenback, S. J.; Young, V. G.; McCarley, R. E. Inorg Chem 1994, 33, 1822.
7. Imoto, H.; Saito, T.; Adachi, H. Inorg Chem 1995, 34, 2415.
8. Korolkov, D. V.; Sizova, O. V. Int J Quant Chem 2002, 88, 606.
9. Stone, A. J.; Alderton, M. Inorg Chem 1982, 21, 2297.
10. Stone, A. J. Polyhedron 1984, 3, 1299.
11. Kljagina, A. P. Koord Khim 1995, 21, 612 [in Russian].
12. de Heer, W. A. Rev Mod Phys 1993, 65, 611.
13. Artemkina, S. B.; Naumov, N. G.; Virovets, A. V.; Oeckler, O.; Simon, A. ; Erenburg, S. B.; Bausk, N. V.; Fedorov, V. E. Eur J Inorg Chem 2002, 1198.
14. Farrar, D. H.; Grachova, E.; Lough, A.; Patirana, C.; Poe, A.; Tunik, S. P. J Chem Soc Dalton Trans 2001, 2015.