𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Application of the NDDO method to transition metal compounds

✍ Scribed by Christine Nieke; Joachim Reinhold

Publisher
Springer
Year
1984
Tongue
English
Weight
445 KB
Volume
65
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Applications of the model potential meth
Applications of the model potential method to transition metal compounds
✍ Eisaku Miyoshi; Yoshiko Sakai πŸ“‚ Article πŸ“… 1988 πŸ› John Wiley and Sons 🌐 English βš– 763 KB

Model potential parameters and basis sets, presented previously for the transition metal atoms Sc through Hg, are tested in calculations of the transition metal compounds (CuF, CuC1, Cu2, TiCl,, ZrCL, CoFs3-, CoFs2-, AgH, AuH, CrF6, ScO, ZrO, Cr2, Mo2h Calculated values of the bond distances, vibrat

Application of SINDO1 to organo-transiti
Application of SINDO1 to organo-transition metal compounds
✍ Jian Li; Karl Jug πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 833 KB

## Abstract The recently extended SINDO1 method is used to study geometries, electronic structures, and chemical bonding of transition metal organometallic compounds. The optimized distances and angles between metal atoms and organic ligands are in fair agreement with experimental data and are comp

Extension of SINDO1 to transition metal
Extension of SINDO1 to transition metal compounds
✍ Jian Li; Paulo Correa De Mello; Karl Jug πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 722 KB

The semiempirical MO method SINDO1, originally suitable for first-and second-row atoms, is extended to transition metals from scandium to zinc. The core Hamiltonian elements in a symmetrically orthogonalized atomic orbital (OAO) basis set are modified and the parameters are optimized to reproduce th