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

Zedeněk Slanina, Ludwik Adamowicz

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1 Citation (Scopus)

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 1993

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specific heat
temperature effects
perturbation
augmentation
temperature
energy

Keywords

  • 35.20
  • 36.40

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physics and Astronomy(all)

Cite this

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title = "Two maxima dependencies of isomerism contribution to heat capacity of N2O-HCN & CO-C2H2 systems in low temperature region",
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 M{\o}ller-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 {\%}.",
keywords = "35.20, 36.40",
author = "Zedeněk Slanina and Ludwik Adamowicz",
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AU - Slanina, Zedeněk

AU - Adamowicz, Ludwik

PY - 1993/3

Y1 - 1993/3

N2 - 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 %.

AB - 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 %.

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