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Additivity model for calculations of UHF spin densities and charge densities in some methyl-substituted radical anions

✍ Scribed by K. K. Sharma

Publisher: John Wiley and Sons
Year: 1977
Tongue: English
Weight: 233 KB
Volume: 11
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560110507

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✦ Synopsis

Abstract

The additivity model as suggested by Moss et al. has been used for predicting spin densities in methyl‐substituted radical anions. Linderberg's relation has been employed for evaluating the core‐resonance integrals (β~rs~) and a heteroatom model for the methyl group has been used.

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