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2022 | 1 |
2023 | 2 |
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Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigation.
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
How cation nature controls the bandgap and bulk Rashba splitting of halide perovskites.
de Araujo LO, Rêgo CRC, Wenzel W, Silveira DN, Piotrowski MJ, Sabino FP, Pramudya Y, Guedes-Sobrinho D.
de Araujo LO, et al.
J Comput Chem. 2023 May 30;44(14):1395-1403. doi: 10.1002/jcc.27094. Epub 2023 Feb 21.
J Comput Chem. 2023.
PMID: 36805580
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