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Electronic structures of d0 complexes by the DV-Xα method

✍ Scribed by Takeshi Mukoyama; Hirohiko Adachi

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
260 KB
Volume
215
Category
Article
ISSN
0009-2614

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✦ Synopsis

The electronic structures of TcOr , RuO,, ReOi and 0~0~ have been studied using the discrete-variational Xcz molecular orbital method. The calculated ordering and the ionization potentials of the valence orbitals are compared with the experimental results.

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