✦ LIBER ✦

Electron structure of diborides of 3d metals

✍ Scribed by Grechnev, G. E.

Book ID: 120732411
Publisher: American Institute of Physics
Year: 1997
Tongue: English
Weight: 286 KB
Volume: 23
Category: Article
ISSN: 1063-777X
DOI: 10.1063/1.593361

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## Abstract Bond distances, vibrational frequencies, electron affinities, ionization potentials, and dissociation energies of the title molecules in neutral, positively, and negatively charged ions were studied by use of density functional methods B3LYP, BLYP, BHLYP, BPW91, and B3PW91. The calculat