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Electronic band structures of metal hydrides

โœ Scribed by A.C. Switendick


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
472 KB
Volume
8
Category
Article
ISSN
0038-1098

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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