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While the stability of planar elongated pure boron clusters is determined by their […σ²⁽ⁿ⁺¹⁾π₁²⁽ⁿ⁺¹⁾π₂²ⁿ] electronic configuration, therectangle modelcan rationalize the π electronic configuration of rectangle-shaped structures.

The efficient approach to estimate inhibitors targeting Aβ oligomers and fibrils is an important issue in Alzheimer's disease treatment.

A systematic investigation on structure, relative stabilities, dissociation behavior and bonding of the singly and doubly Ni doped boron clusters B_nNi_mwithn= 2–22 andm= 1–2, was carried out using density functional theory (TPSSh functional) calculations.