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Calculation of the ionization potentials of transition-metal dimers by the discrete-variation-Xαmethod

✍ Scribed by G. L. Gutsev; V. D. Lutatskaya; A. P. Klyagina; A. A. Levin


Publisher
SP MAIK Nauka/Interperiodica
Year
1988
Tongue
English
Weight
382 KB
Volume
28
Category
Article
ISSN
0022-4766

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## Abstract Calculations of molecular‐orbital energies and x‐ray photoelectron spectra have been carried out for the third‐row oxyanions, transition‐metal oxyanions, SiO~2~ and TiO~2~, by the discrete variational‐__X__α cluster method. The calculated orbital energies are consistent with those deter