Configurations and characteristics of boron and B-36 clusters

Xu, SH; Dong, RJ; Lv, CG; Wang, CL; Cui, YP

Xu, SH (reprint author), Southeast Univ, Adv Photon Ctr, Nanjing 210096, Jiangsu, Peoples R China.

JOURNAL OF MOLECULAR MODELING, 2017; 23 (7):

Abstract

Characteristics of the ring and linear structures of the boron cluster B-36 and its doped clusters were investigated with DFT/B3LYP/6-31G. The results......

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