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Electronic structure and spectra of the MoCl5molecule with consideration of spin-polarization effects and relativistic corrections

โœ Scribed by I. A. Topol'; V. M. Kovba


Book ID
112361426
Publisher
Springer
Year
1983
Tongue
English
Weight
605 KB
Volume
19
Category
Article
ISSN
0040-5760

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โœ S. R. Nogueira; Diana Guenzburger ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 637 KB

## m Four-component relativistic and nonrelativistic molecular orbital calculations were performed for the covalent paramagnetic complex [ II(CN>,]~-, employing the selfconsistent discrete variational method, in the framework of density functional theory. Relativistic effects on the electronic str