Litcius/Paper detail

NBO technique as a descriptor of aromaticity

Osman I. Osman, Abdullah M. Asiri

2022Computational and Theoretical Chemistry12 citationsDOI

Topics & Concepts

AromaticityNatural bond orbitalChemistryComputational chemistryDelocalized electronSteric effectsDensity functional theoryBenzeneChemical physicsMoleculeStereochemistryOrganic chemistrySynthesis and Properties of Aromatic CompoundsCrystallography and molecular interactionsFree Radicals and Antioxidants