D V S Jain
Articles written in Journal of Chemical Sciences
Volume 89 Issue 1 February 1980 pp 77-86 Physical and Theoretical
Quantitative structure-activity relationships have been developed for three series of phenolic substrates viz. phenols, hydroxyindoles and tyramines in microsomal hydroxylation. The Fujita-Ban group contributions of various substituents have been calculated. Mono-, bi-and tri-substituted phenols have been investigated in the light of the linear free energy related model also.
Volume 91 Issue 4 August 1982 pp 295-301 Physical and Theoretical
A cndo/2 study has been carried out for C6F6 + C6H6aad C6F6 + C6H10 composites and individual molecules. The favoured configurations of the adducts have been decided on the basis of energy calculations of various geometries. For the C6F6+C6H6 adduct the lowest energy corresponds to the configuration in which the molecular planes are parallel to each other with a twist angle of 30°. For the C6F6+ C8H10 adduct lowest energy corresponds to a geometry in which the two molecular planes are inclined by a small angle with the angle of twist between the molecular planes being 30°. It is shown that the complexes are not of the charge transfer type.
Volume 93 Issue 6 August 1984 pp 927-945 Physical and Teoretical Chemistry
The article reviews in brief, the
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