Abstract <p>The additive approach allows us to bypass quantum mechanics problems and directly estimate an individual chemical substance’s macroscopic physical and chemical properties through its atomic characteristics. The fundamental idea of the approach is that these properties depend entirely on the atomic-molecular structure of the substance and are found by simple additive summation of the properties of the atoms. The concept of statistically averaged equipotential (equigeometric) radius is firstly introduced, a normative basis that considers the stereometry of an actual molecule. This fixes the lower level of the corridor of estimation errors. The practicality of the approach is that it does not require a computer and takes a reasonably short calculation time.</p>

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Structure and Properties of Matter—Additive Approach

  • V. Dimitrov,
  • L. Eppelbaum

摘要

Abstract

The additive approach allows us to bypass quantum mechanics problems and directly estimate an individual chemical substance’s macroscopic physical and chemical properties through its atomic characteristics. The fundamental idea of the approach is that these properties depend entirely on the atomic-molecular structure of the substance and are found by simple additive summation of the properties of the atoms. The concept of statistically averaged equipotential (equigeometric) radius is firstly introduced, a normative basis that considers the stereometry of an actual molecule. This fixes the lower level of the corridor of estimation errors. The practicality of the approach is that it does not require a computer and takes a reasonably short calculation time.