Supplement Number 1
dataset
posted on 2024-11-25, 05:06 authored by Farideh Zergani, Jorge Marques, Massimiliano Bartolomei, Fernando PiraniValidation of the functional for the DFT calculations, low-energy structures of (B12)2 and (B36)2 calculated at the DFT-M062X/6-311+G* level, and Cartesian coordinates and energies of the (B12)n and (B36)n clusters.
