Browsing by Subject "Inductive constants"

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A new approach to the theoretical estimation of inductive constants

Cherkasov A.; Galkin V.; Cherkasov R. (1998)

A new model of the inductive effect is proposed, allowing highly accurate theoretical calculations of inductive constants for a diversity of substituents, using a simple and readily available system of mathematics. According ...
A novel approach to the analysis of substituent effects: Quantitative description of ionization energies and gas basicity of amines

Cherkasov A.; Jonsson M.; Galkin V. (1999)

In this work, a new topological approach based on simple matrix algebra is introduced to explore substituent effects at the level of atomic additivity in the absence of significant resonance contributions. In the framework ...

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