ListarProducción Científica por tema "potential energy surface"

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    • Article

      Planar Elongated B12 Structure in M3B12 Clusters (M = Cu-Au) (2024) 

      Solar-Encinas, José; Vásquez-Espinal, Alejandro; Leyva-Parra, Luis; Yañez, Osvaldo; Inostroza, Diego; Valenzuela, Maria Luisa; Orellana, Walter; Tiznado, William (MDPI, 2023)
      Here, it is shown that the M3B12 (M = Cu-Au) clusters’ global minima consist of an elongated planar B12 fragment connected by an in-plane linear M3 fragment. This result is striking since this B12 planar structure is not ...