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MSINDO parameterization for third-row main group elements

✍ Scribed by Karl Jug; Gerald Geudtner; Thorsten Homann

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
182 KB
Volume
21
Category
Article
ISSN
0192-8651

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πŸ“œ SIMILAR VOLUMES

MSINDO parameterization for third-row tr
MSINDO parameterization for third-row transition metals
✍ Thomas Bredow; Gerald Geudtner; Karl Jug πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 279 KB

## 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

Gaussian basis sets for the fourth-row m
Gaussian basis sets for the fourth-row main group elements, In–Xe
✍ Ann StrΓΆmberg; Odd Gropen; Ulf Wahlgren πŸ“‚ Article πŸ“… 1983 πŸ› John Wiley and Sons 🌐 English βš– 383 KB πŸ‘ 1 views

## Abstract Gaussian basis sets, consisting of 15 s‐type, 11 p‐type, and 6 d‐type functions, for the fourth‐row main group elements, In‐Xe, are presented. In order to compare these basis sets with larger ones, calculations have been performed in I~2~ and TeO~2~.

Potential energy surfaces for clusters o
Potential energy surfaces for clusters of main group elements
✍ J.N. Murrell πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 515 KB

A knowledge of the ground state potential energy curves of homonuclear diatomic molecules and some information about the equilibrium contigurations and energies of the homonuclear triatomics leads to a qualitative understanding of the structures of larger elemental clusters. From more detailed knowl