Theoretical Study of TiO2 Anatase Surfaces via a CO IR Probe.

Published: 4 March 2026| Version 3 | DOI: 10.17632/fvf5khr284.3
Contributor:
Jaroslav Vacek

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The computational data supporting the paper "Theoretical Study of TiO2 Anatase Surfaces via a CO IR Probe".

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The data contain all information necessary to reproduce the findings presented in the paper "Theoretical Study of TiO2 Anatase Surfaces via a CO IR Probe".

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Computational Materials Science, Computational Chemistry

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