Theoretical spectroscopic constants for the low-lying states of the oxides and sulfides of Mo and Tc
โ Scribed by Stephen R. Langhoff; Charles W. Bauschlicher Jr.; Lars G.M. Pettersson; Per E.M. Siegbahn
- Book ID
- 103665641
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 865 KB
- Volume
- 132
- Category
- Article
- ISSN
- 0301-0104
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The common correspondence between molecular orbital theory and resonance theory in the description of the electronic structure of a molecule is used to ลฝ . select valence bond VB structures constructing wave functions of the low-lying states of LiB and LiB q . The spectroscopic parameters of the low
Spin-orbit MRD-CI calculations have been carried out for the potential energy surfaces of the seven lowest-lying electronic states of the BiOH molecule by employing relativistic effective core potentials. The HBiO isomer is found to be 4020 cm 01 less stable because of its inability to form multiple