Two maxima dependencies of isomerism contribution to heat capacity of N2O-HCN & CO-C2H2 systems in low temperature region

Zedeněk Slanina, Ludwik Adamowicz

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

Temperature effects on heat capacity in four and three component systems N2O-HCN and CO-C2H2, respectively, were computed. Structural and vibrational parameters originated from the second order Møller-Plesset perturbation treatment with the 6-31++G** basis set while relative energies were of a still advanced nature. Isomerism contribution to heat capacity exhibits two temperature maxima at 43 and 205 or 15 and 83 K in N2O-HCN or CO-C2H2. The highest reported isomeric enhancement of the total heat capacity is about 27 %.

Original languageEnglish (US)
Pages (from-to)338-340
Number of pages3
JournalZeitschrift für Physik D Atoms, Molecules and Clusters
Volume26
Issue number1 Supplement
DOIs
StatePublished - Mar 1 1993

Keywords

  • 35.20
  • 36.40

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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