Design of Carborane Molecular Architectures via Electronic Structure Computations
Figure 1
Optimized geometry of singlet ground states (total spin = 0): (a) 1,2-, (b) 1,2--1,2-, (c) , and (d) 1,2--1,2-. Computations are carried out with the B3LYP/6-31 model. All geometries correspond to energy minima.
