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.

Original languageEnglish
Pages (from-to)765-770
Number of pages6
JournalRussian Journal of Applied Chemistry
Volume72
Issue number5
StatePublished - 1999

    Scopus subject areas

  • Chemistry (miscellaneous)

ID: 9442483