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f-electron bonding, electronic structure and phase transitions in lanthanum and cerium

โœ Scribed by Warren E. Pickett; A.J. Freeman; D.D. Koelling


Publisher
Elsevier Science
Year
1980
Weight
396 KB
Volume
102
Category
Article
ISSN
0378-4363

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## Abstract Bond distances, vibrational frequencies, dipole moments, dissociation energies, electron affinities, and ionization potentials of MX (XM = Yโ€Cd, X = F, Cl, Br, I) molecules in neutral, positively, and negatively charged ions were studied by density functional method, B3LYP. The bonding