✦ LIBER ✦

Application of SINDO1 to phosphorus compounds

✍ Scribed by Karl Jug; Joachim Schulz

Publisher: John Wiley and Sons
Year: 1988
Tongue: English
Weight: 736 KB
Volume: 9
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540090106

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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 phosphorus compounds.

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