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A rapid method for analyzing the chemical bond from energy densities calculations at the bond critical point

Hailong Yang, Pascal Boulet, Marie‐Christine Record

2020Computational and Theoretical Chemistry52 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryAtoms in moleculesPolarizabilityMoleculeCritical point (mathematics)Sextuple bondElectron densitySimple (philosophy)Chemical bondBond energyPoint particleCharge densityBond orderMolecular physicsComputational chemistryElectronBond lengthChemical physicsQuantum mechanicsPhysicsMathematicsOrganic chemistryPhilosophyEpistemologyMathematical analysisCrystallography and molecular interactionsAdvanced Chemical Physics StudiesChemical Thermodynamics and Molecular Structure
A rapid method for analyzing the chemical bond from energy densities calculations at the bond critical point | Litcius