Author:
Jardine Warren Kenneth,Langler Richard Francis,MacGregor John Atlee
Abstract
Huheey's approach to the calculation of partial charges on groups is extended and some group electronegativity parameters modified. The modified form of Huheey's method is shown to provide rapid access to net group charges (population numbers) in cations, radicals, anions, and sulfur trigonal bipyramids. Results obtained by substituent electronegativity calculations are shown to be comparable to those obtained by abinitio calculations.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
14 articles.
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