Application of SINDO1 to sulphur compoun
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Karl Jug; Rüdiger Iffert
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Article
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1987
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John Wiley and Sons
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English
⚖ 674 KB
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 a