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.

Язык оригиналаанглийский
Страницы (с-по)95-103
Число страниц9
ЖурналTheoretica Chimica Acta
Том81
Номер выпуска1-2
DOI
СостояниеОпубликовано - янв 1991

    Предметные области Scopus

  • Хиропрактика

ID: 84360006