A theoretical study of the inclusion complexes of β-quinol

Liem X. Dang, B. Montgomery Pettitt

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

The thermodynamics and dynamics of clathrate inclusion complexes of β-quinol with rare gas atoms are considered and compared to previous experimental results. Many of the thermodynamic properties are found to be explainable within a harmonic approximation if one considers the flexibility of the host lattice. Dynamic simulations indicate a splitting of the low frequency motions caused by the local anisotropy of the β-quinol clathrate.

Original languageEnglish (US)
Pages (from-to)968-974
Number of pages7
JournalThe Journal of Chemical Physics
Volume89
Issue number2
DOIs
StatePublished - Jan 1 1988
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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