Litcius/Paper detail

Identifying the most energetic electrons in a molecule: The highest occupied molecular orbital and the average local ionization energy

Felipe A. Bulat, Jane S. Murray, Peter Politzer

2021Computational and Theoretical Chemistry101 citationsDOI

Topics & Concepts

ChemistryIonizationMolecular orbitalAtomic physicsElectronIonization energyHOMO/LUMOMoleculeAtomic orbitalMolecular physicsPhysicsIonNuclear physicsOrganic chemistryAdvanced Chemical Physics StudiesCrystallography and molecular interactionsEnergetic Materials and Combustion
Identifying the most energetic electrons in a molecule: The highest occupied molecular orbital and the average local ionization energy | Litcius