Energy Decomposition Analysis of the Chemical Bond: Scope and Limitation
Lili Zhao, Sudip Pan, Gernot Frenking
Topics & Concepts
Chemical bondChemistryValence bond theoryModern valence bond theoryGeneralized valence bondComputational chemistryElectronic structureValence (chemistry)MoleculeAtoms in moleculesBond energySextuple bondBond orderThree-center two-electron bondChemical physicsBond lengthMolecular orbitalOrganic chemistryAdvanced Chemical Physics StudiesCrystallography and molecular interactionsInorganic Chemistry and Materials