Electronic structure of 3d-metal monosulphides by the Xα discrete variational method
✍ Scribed by S.P. Freidman; V.A. Gubanov
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 85 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0038-1098
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📜 SIMILAR VOLUMES
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.
The electronic structure of the azide ion is investigated using the SCF Xo scattered wave method. C&~lated ionization energies are compared with values determined by eIectron spectroscopy. Transition state calculations for nS -F ?;z, a0 and og -lr: single electron transitions yield excitation encrgi