Figure 2: The global minimum and low-lying isomers of B36− and B36.
From: Planar hexagonal B36 as a potential basis for extended single-atom layer boron sheets
(a) Relative energies for the isomers of B36− are given in kcal mol−1 at the PBE0/6-311G* and CCSD/6-31+G*//PBE0/6-311G* (in parenthesis) levels of theory. (b) Relative energies for the isomers of B36 are given in kcal mol−1 at the PBE0/6-311G* level of theory. All energies have been corrected for zero-point energies at the PBE0/6-311G* level.
