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Russian Journal of Physical Chemistry B

, Volume 8, Issue 4, pp 464–466 | Cite as

A study of the relationship between the electronic structure and the thermodynamic properties of individual compounds

  • V. V. TurovtsevEmail author
  • Yu. D. Orlov
Structure of Chemical Compounds. Spectroscopy

Abstract

Based on the “quantum theory of atoms in a molecule,” the Hohenberg-Kohn theorem, and “holographic” theorem, the principles of constructing phenomenological additive models for calculating the thermodynamic properties are considered.

Keywords

electronic structure atoms in molecules inductive effect transferability of properties molecular modeling structure-property quantitative correlations additivity macroincrementation 

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Copyright information

© Pleiades Publishing, Ltd. 2014

Authors and Affiliations

  1. 1.Tver State Medical AcademyTverRussia
  2. 2.Tver State UniversityTverRussia

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