CNN : CNN Radical
收藏Zenodo2026-06-02 更新2026-06-05 收录
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https://zenodo.org/doi/10.5281/zenodo.20508671
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CNN : CNN Radical
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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Zenodo创建时间：
2026-06-02
