A theoretical evaluation is made of the barrier for hindered rotation of an HC1 molecule in binary cryosystems, resulting from the nonuniformity of molecular composition of its nearest environment (argon matrix doped with N2 or CO molecules). The calculations were done using Buckingham's pairwise interaction potential and a quantum-mechanical description of the contribution of intermolecular repulsion forces.

Язык оригиналаанглийский
Страницы (с-по)765-770
Число страниц6
ЖурналRussian Journal of Applied Chemistry
Том72
Номер выпуска5
СостояниеОпубликовано - 1999

    Предметные области Scopus

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ID: 9442483