A theoretical study of the inclusion complexes of β-quinol

Liem X. Dang, B. Montgomery Pettitt

Research output: Contribution to journalArticlepeer-review

8 Scopus citations


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
Issue number2
StatePublished - 1988
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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