Valence orbital ionization energies for second-row transition elements
β Scribed by Roberto Munita; Jorge R. Letelier
- Publisher
- Springer
- Year
- 1981
- Tongue
- English
- Weight
- 208 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Four ionization potentials of elements from the second row of the Ε½ periodic table were computed with ab initio HF,
## Rcccrbcd 1 March 1981 A new, nc\t-to-mimmsl basis, contracuon is suggested for rust-and second-row lransuion elements. Orbnal and ewitadon encrg~cs ior Fe, Ni, Pd and MO and bond disrsncss for NtO and PdH hare been calculated Tbc results are satisfactory. Horrever, ior PdH a large superposmon e
One-centre quaritities for the elements of the frost and second traadtion meti -ties are given which OLI be used instead of the conesponding one-centre integrals in semi-empirical MO calculat~oons.