One-sixth power law for molecular dissociation energies in terms of inhomogeneity kinetic energy

N. H. March, A. Nagy

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The one-sixth power law {A figure is presented} relating molecular dissociation energy D, total number of electrons N and inhomogeneity kinetic energy T2 = (h2/72m)∫(XXXρ{variant})2/ρ{variant}dr̄ is made quantitative by estimating the (positive) parameters Γ from various (mainly semi-empirical) approaches. Important properties are the position and height of the maximum in the plot of D/N2 vs. T2.

Original languageEnglish
Pages (from-to)129-133
Number of pages5
JournalJournal of Molecular Structure: THEOCHEM
Volume277
Issue numberC
DOIs
Publication statusPublished - Dec 10 1992

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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