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INDO Calculations with inclusion of an effective solvent field. Application to benzosemiquinones
Authors:Spanget-Larsen  Jens
Affiliation:(1) Institut für Organische Chemie der Technischen Hochschule Darmstadt, Petersenstrasse 22, D-6100 Darmstadt, Germany
Abstract:Theoretical Chemistry Accounts - An INDO method extended to include a contribution from the solvent by means of an effective solvent field (ESF) is applied to the three isomeric benzosemiquinones...
Keywords:INDO method with a contribution from the solvent  Benzosemiquinones, spin densities and geometries of   /content/kl3251n347l4547k/xxlarge8764.gif"   alt="  sim"   align="  MIDDLE"   BORDER="  0"  >
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