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Material Type: Artigo
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Theoretical Study of the Structural, Energetic, and Electronic Properties of 55-Atom Metal Nanoclusters: A DFT Investigation within van der Waals Corrections, Spin–Orbit Coupling, and PBE+U of 42 Metal SystemsPiotrowski, Maurício J ; Ungureanu, Crina G ; Tereshchuk, Polina ; Batista, Krys E. A ; Chaves, Anderson S ; Guedes-Sobrinho, Diego ; Da Silva, Juarez L. FJournal of physical chemistry. C, 2016-12, Vol.120 (50), p.28844-28856 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |