Published June 2, 2026 | Version v1
Dataset Open

CO2: Carbon Dioxide

  • 1. Université Clermont Auvergne, CNRS, LPCA, F-63000 Clermont Ferrand, France
  • 2. Université Limoges, CNRS, IRCER, UMR 7315, F-87000 Limoges, France

Description

CO2 Carbon Dioxide

Collection of spectroscopic data: vibrational frequencies, rotational constants, electronic energies, and enthalpies of formation.

Calculation of thermodynamic properties as a function of temperature under thermal equilibrium and non-equilibrium conditions: heat capacity at constant pressure (Cp), enthalpy (h), entropy (s), Gibbs free energy (g), internal partition function (Zint), and translational partition function (Ztr).

 

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Additional details

Funding

Agence Nationale de la Recherche
PASSION ANR-22-CE51-0033