Abstract
The PCILO charge distributions of a number of alkanes are in excellent agreement with charge distributions derived on the assumption that the inductive effects can be described in a Taft-like manner. This agreement with "quantitative chemical intuition" stresses the strong chemical character of the PCILO method. The CNDO/2 results are only in qualitative agreement with "chemical expectancy" and suffer apparently from the same difficulties as PCILO used with zero C—C and C—H polarities.
Publisher
Canadian Science Publishing
Subject
Organic Chemistry,General Chemistry,Catalysis
Cited by
10 articles.
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