DOI

A new quantum-chemical definition is given of the full atomic valence taking into account both the covalent and ionic parts of the chemical bonds formed by an atom in molecules and crystals. Full valence is close to formal ("classical") valence of an atom in a wide row of compounds. The theoretical consideration and the CNDO calculations of molecules and crystals are made to justify the validity of the full valence definition.

Original languageEnglish
Pages (from-to)95-103
Number of pages9
JournalTheoretica Chimica Acta
Volume81
Issue number1-2
DOIs
StatePublished - Jan 1991

    Research areas

  • CNDO calculation, Electron structure, Valency

    Scopus subject areas

  • Chiropractic

ID: 84360006