All electron ab initio investigations of the electronic states of the MoN molecule
β Scribed by I Shim; K.A Gingerich
- Book ID
- 114143215
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 207 KB
- Volume
- 460
- Category
- Article
- ISSN
- 0166-1280
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π SIMILAR VOLUMES
The electronic structure of transition metal containing molecules are extremely complicated and extensive calculations are required for reliable descriptions. In spite of this the results can often be interpreted in simple terms. The electronic structure of PdC is consistent with the molecular orbit
The results of relativistic self-consistent field, complete active space self-consistent field and multireference configuration interaction calculations for the platinum hydride molecule are presented, using the spin-free no-pair Hamiltonian in a basis set expansion. Spin-orbit interaction effects a