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Application of SINDO1 to silicon, aluminum, and magnesium compounds

✍ Scribed by Karl Jug; Rüdiger Iffert

Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
752 KB
Volume
9
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 of silicon, aluminum and magnesium compounds. These calculations are based on a new parametrization of SINDOl for second-row elements. Important features are the inclusion of 3d orbitals and the explicit evaluation of zero point energies. A comparison with MNDO data is presented.

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