MINDO/3-BERECHNUNGEN VON PHOSPHORORGANISCHEN VERBINDUNGEN. V.1
- 1 July 1980
- journal article
- research article
- Published by Taylor & Francis in Phosphorus and Sulfur and the Related Elements
- Vol. 8 (3) , 343-350
- https://doi.org/10.1080/03086648008078213
Abstract
Es werden die beiden semiempirischen Rechenverfahren MINDO/3 und MNDO hinsichtlich der Genauigkeit in der Berechnung von Bildungsenthalpien, Ionisationspotentialen, Geometrien sowie Dipolmomenten von Phosphorverbindungen im Vergleich zu experimentellen Größen untersucht. The calculated data of the heat of formation, ionization potential, geometry and dipole moments by the semiempirical methods MINDO/3 and MNDO are compared to experimental values of phosphorus compounds.Keywords
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