QTNano - Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster - J. Phys. Chem. C 126, 11937−11948 (2022)

The following directories contain the data related to the DFT calculations used in the analysis described in the research article "QTNano – Ab Initio Investigation of CH₄ Dehydrogenation on a (CeO₂)₁₀ Cluster," published in The Journal of Physical Chemistry C and accessible at https://doi.org/10.1021/acs.jpcc.2c02038.