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

Published: 8 December 2025| Version 2 | DOI: 10.17632/pj47xxk7yk.2
Contributors:
Carina Peraça, Karla F. Andriani, Maurício J. Piotrowski, Juarez L. F. Da Silva

Description

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.

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  • Universidade Federal de Pelotas
  • Universidade de Sao Paulo

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Research Article

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