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

Published: 5 August 2025| Version 2 | DOI: 10.17632/fvf5khr284.2
Contributor:
Jaroslav Vacek

Description

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

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Steps to reproduce

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".

Institutions

  • Vysoka Skola Banska-Technicka Univerzita Ostrava
  • Univerzita Palackeho v Olomouci
  • Ustav organicke chemie a biochemie Akademie ved Ceske republiky

Categories

Computational Materials Science, Computational Chemistry

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