A simple method of identifying π orbitals for non-planar systems and a protocol of studying π electronic structure
Tian Lu, Qinxue Chen
Topics & Concepts
Localized molecular orbitalsMolecular orbitalLinear combination of atomic orbitalsAtomic orbitalMolecular orbital theoryElectronic structureSlater-type orbitalComputer scienceElectronComputational chemistryChemistryPhysicsQuantum mechanicsMoleculeCrystallography and molecular interactionsSynthesis and Properties of Aromatic CompoundsOrganic and Molecular Conductors Research