From the Electron Density Gradient to the Quantitative Reactivity Indicators: Local Softness and the Fukui Function
Jarosław Zaklika, J. Hładyszowski, Piotr Ordon, Ludwik Komorowski
Abstract
). Calculated test results for atoms and ions in rows 1-4 of the periodic table have been presented.
Topics & Concepts
Fukui functionReactivity (psychology)Atomic orbitalAtom (system on chip)IonFunction (biology)ElectronAtomic physicsElectron densityLocal-density approximationChemistryQuantum mechanicsLocal density of statesMeasure (data warehouse)PhysicsDensity functional theoryComputational chemistryCatalysisPathologyBiologyBiochemistryEmbedded systemEvolutionary biologyComputer scienceAlternative medicineMedicineElectrophileDatabaseAdvanced Chemical Physics StudiesMachine Learning in Materials ScienceBoron and Carbon Nanomaterials Research