QTNano: Computational Investigation of the Size Evolution of (La2B2O7)n Nanoclusters (B = Ce, Ti, Zr) - ACS Omega 2025, 10, 41, 48829–48843

Published: 8 December 2025| Version 1 | DOI: 10.17632/hhhx4ksg7b.1
Contributors:
Carina Peraça, Maurício Mocelim, Mylena N. Santos, 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 "Computational Investigation of the Size Evolution of (La2B2O7)n Nanoclusters (B = Ce, Ti, Zr) ", available on: ACS Omega 2025, 10, 41, 48829–48843. https://doi.org/10.1021/acsomega.5c06927

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Institutions

  • Universidade de Sao Paulo

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DFT Method Application

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