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)|
|Number of pages||3|
|Journal||Zeitschrift für Physik D Atoms, Molecules and Clusters|
|Issue number||1 Supplement|
|State||Published - Mar 1993|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics