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Application of SINDO1 to sulphur compounds

✍ Scribed by Karl Jug; Rüdiger Iffert

Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
674 KB
Volume
8
Category
Article
ISSN
0192-8651

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✦ Synopsis

SINDOl calculations are presented for ground state geometries, heats of formation, ionization potentials and dipole moments. These calculations are based on a new parametrization of SINDOl for second-row elements which features inclusion of 3d orbitals and zero point energies. The comparison shows an improvement over MNDO, especially for hypervalent sulphur compounds.

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