The electronic structure and the related properties of the coordination compounds TiCl. and VCI. have been studied by the MS-SCF-Xa: method. The first electronic transitions and the ionization potentials in the He(I) region have been calculated; there is fairly good agreement with the experimental data. An interpretation of the bands of the related spectra is furnished. This interpretation is in substantial agreement with that previously proposed using methods of various levels of sophistication.
The electronic structure of TiCl4 and VCl4 by MS-SCF-Xalpha method. Assignment of photo-electron and electronic spectra
SGAMELLOTTI, Antonio;TARANTELLI, Francesco
1980
Abstract
The electronic structure and the related properties of the coordination compounds TiCl. and VCI. have been studied by the MS-SCF-Xa: method. The first electronic transitions and the ionization potentials in the He(I) region have been calculated; there is fairly good agreement with the experimental data. An interpretation of the bands of the related spectra is furnished. This interpretation is in substantial agreement with that previously proposed using methods of various levels of sophistication.File in questo prodotto:
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