Predictive analytics of conductance and HOMO-LUMO gaps with topological descriptors of porphyrin nanosheets

JS Junias, J Clement - Physica Scripta, 2023 - iopscience.iop.org
Porphyrins are planar tetrapyrolic aromatic molecules that serve as a host for the formation
of metal coordination complexes, which enable additional capabilities. The 2D porphyrin …