Ab Initio Calculations of Charge Distributions in Monosubstituted Benzenes and in Meta- and Para-Substituted Fluorobenzenes. Comparison with 1 H, 13 C, and 19 F Nmr Substituent Shifts-Reference-Cited by-同舟云学术

Ab Initio Calculations of Charge Distributions in Monosubstituted Benzenes and in Meta- and Para-Substituted Fluorobenzenes. Comparison with 1 H, 13 C, and 19 F Nmr Substituent Shifts

Published:2007-04-04 Issue: Volume: Page:159-187
ISSN:1934-4821
Container-title:Progress in Physical Organic Chemistry
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Author:

Hehre W. J.,Taft R. W.,Topsom R. D.

Publisher

John Wiley & Sons, Inc.

Reference57 articles.

1. Valence shell calculations on polyatomic molecules. II. Complete neglect of differential overlap-self-consistent field calculations on monosubstituted benzenes

2. Infrared intensities as a quantitative measure of intramolecular interactions. XIII. Molecular orbital calculations of the intensities of ring-stretching bands of substituted benzenes

3. Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes

4. Stable carbocations. CLXXXVI. Relation of carbon-13 NMR shifts to the effect of methyl substitution on electronic charge distribution at trigonal carbons

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