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On the use of DFT+U to describe the electronic structure of TiO2 nanoparticles: (TiO2)35 as a case study.
J Chem Phys. 2020 Jun 28;152(24):244107. doi: 10.1063/5.0012271.
J Chem Phys. 2020.
PMID: 32610938
Activation of Water on MnOx-Nanocluster-Modified Rutile (110) and Anatase (101) TiO2 and the Role of Cation Reduction.
Rhatigan S, Nolan M.
Rhatigan S, et al.
Front Chem. 2019 Feb 12;7:67. doi: 10.3389/fchem.2019.00067. eCollection 2019.
Front Chem. 2019.
PMID: 30809521
Free PMC article.
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