Electronegativity and inductive and mesomeric parameters of atomic groups: A semiempirical quantum chemical estimation |
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Authors: | A N Pankratov A E Shchavlev |
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Institution: | (1) N. G. Chernyshevskii Saratov State University, Russia |
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Abstract: | The electronegativity, the inductive parameter, and the mesomeric dipole moments of substituents depend on the electronic
structure characteristics of organic molecules calculated by the CNDO/2, INDO, MINDO, MINDO/3, MNDO, and AMI methods. It is
shown that the electronegativity as well as the inductive and mesomeric characteristics of atomic groups may be estimated
by semiempirical quantum chemical methods. |
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Keywords: | |
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