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Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigation.
Felix JPCS, Batista KEA, Morais WO, Nagurniak GR, Orenha RP, Rêgo CRC, Guedes-Sobrinho D, Parreira RLT, Ferrer MM, Piotrowski MJ. Felix JPCS, et al. Among authors: rego crc. J Comput Chem. 2023 Apr 15;44(10):1040-1051. doi: 10.1002/jcc.27063. Epub 2022 Dec 28. J Comput Chem. 2023. PMID: 36576316
Unveiling oxygen vacancy impact on lizardite thermo and mechanical properties.
Pecinatto H, Rêgo CRC, Wenzel W, Frota CA, Perrone BMS, Piotrowski MJ, Guedes-Sobrinho D, Dias AC, Mota C, Gusmão MSS, Frota HO. Pecinatto H, et al. Among authors: rego crc. Sci Rep. 2023 Oct 11;13(1):17157. doi: 10.1038/s41598-023-44424-9. Sci Rep. 2023. PMID: 37821570 Free PMC article.