Published July 26, 2026
| Version v1
Dataset
Open
OTiF- : Fluoro oxidotitanium anion
Authors/Creators
- 1. Université Clermont Auvergne, CNRS, LPCA, F-63000 Clermont Ferrand, France
- 2. Université Limoges, CNRS, IRCER, UMR 7315, F-87000 Limoges, France
Description
OTiF- : Fluoro oxidotitanium anion
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).
Files
OTiF-.pdf
Files
(247.4 kB)
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