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) |
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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 | |
State | Published - Mar 1993 |
Keywords
- 35.20
- 36.40
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics