DFT study on the structure and stability of Al13Bn +/- m clusters

Yu, JZ; Zhao, FQ; Xu, SY; Ju, XH

Ju, XH (reprint author), Nanjing Univ Sci & Technol, Sch Chem Engn, Key Lab Soft Chem & Funct Mat MOE, Nanjing 210094, Peoples R China.

JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, 2017; 82 (2): 163

Abstract

Al13Bn +/- m clusters were studied by the DFT-UB3LYP/6-311+G(d) method. The variations of structural and electronic properties with the changes of n a......

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