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Material Type: Artigo
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Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigationFelix, João P. C. S. ; Batista, Krys E. A. ; Morais, Wesley O. ; Nagurniak, Glaucio R. ; Orenha, Renato P. ; Rêgo, Celso R. C. ; Guedes‐Sobrinho, Diego ; Parreira, Renato L. T. ; Ferrer, Mateus M. ; Piotrowski, Maurício J.Journal of computational chemistry, 2023-04, Vol.44 (10), p.1040-1051 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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Material Type: Artigo
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Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclustersGuedes-Sobrinho, Diego ; Chaves, Anderson S. ; Piotrowski, Maurício J. ; Da Silva, Juarez L. F.The Journal of chemical physics, 2017-04, Vol.146 (16), p.164304-164304 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |