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Zn-doping and oxygen vacancy effects on the reactivity and properties of monoclinic and tetragonal ZrO2: a DFT study.
J Mol Model. 2022 Oct 12;28(11):358. doi: 10.1007/s00894-022-05328-z.
J Mol Model. 2022.
PMID: 36222980
Molecular Dynamics Approach to the Physical Mixture of In2O3 and ZrO2: Defect Formation and Ionic Diffusion.
Fornasari LE, Bronsato BJDS, Appel LG, de Avillez RR.
Fornasari LE, et al. Among authors: de avillez rr.
Int J Mol Sci. 2023 Jan 26;24(3):2426. doi: 10.3390/ijms24032426.
Int J Mol Sci. 2023.
PMID: 36768746
Free PMC article.
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Influence of Zn-Cd substitution: spectroscopic and theoretical investigation of 8-hydroxyquinoline complexes.
Ramalho TC, Martins TL, Borges LE, de Pinho MH, de Avillez RR, da Cunha EF.
Ramalho TC, et al.
Spectrochim Acta A Mol Biomol Spectrosc. 2009 May;72(4):726-9. doi: 10.1016/j.saa.2008.11.016. Epub 2008 Nov 24.
Spectrochim Acta A Mol Biomol Spectrosc. 2009.
PMID: 19129006
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