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

Zedeněk Slanina; Ludwik Adamowicz

doi:10.1007/BF01425709

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 journal › Article › peer-review

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 language	English (US)
Pages (from-to)	338-340
Number of pages	3
Journal	Zeitschrift für Physik D Atoms, Molecules and Clusters
Volume	26
Issue number	1 Supplement
DOIs	https://doi.org/10.1007/BF01425709
State	Published - Mar 1993

Keywords

35.20
36.40

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

Access to Document

10.1007/BF01425709

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 \%.",

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author = "Zeden{\v e}k Slanina and Ludwik Adamowicz",

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T1 - Two maxima dependencies of isomerism contribution to heat capacity of N2O-HCN & CO-C2H2 systems in low temperature region

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 %.

KW - 35.20

KW - 36.40

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