## Abstract The recently developed MSINDO version of the semiempirical SCF MO method SINDO1 has been parameterized for third‐row transition metals Sc to Zn. The set of reference data used for the previous parameterization of SINDO1 has been substantially increased by incorporating results of recent
Extended-Hückel parameters for third-row transition metals
✍ Scribed by Rainer Jostes
- Publisher
- Springer
- Year
- 1988
- Tongue
- English
- Weight
- 309 KB
- Volume
- 74
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
## Abstract New nonrelativistic and scalar‐relativistic pseudopotentials for the second‐ and third‐row transition metals have been developed. These improved Model Core Potentials were used in calculations for a variety of transition metal complexes to test their ability to reproduce experimental st
\_4 comparison of some resuhs from Xa-scattered wave (X&W) and extended Hiickel (EH) calculations for meti clusters is given. It is found that small clusters of atoms (== 13 zooms) using the XcAW method reproduce many of the featr;rcs ot the electronic structure of the bulk mcta!s, whereas this is n