Charge-Density Inhomogeneity: Unlocking Insights Into Chemical Behavior

Charge-density inhomogeneity (CDI) studies electron density variations within molecules. Concepts like electron localization function (ELF) measure electron localization, while Fukui function predicts reactivity. Natural population analysis (NPA) assigns electrons to atoms, and quantum chemical topology (QCT) analyzes charge density distribution. Reduced density gradient (RDG) distinguishes bonded and non-bonded regions, and topological atoms (TA) identify localized electron density areas. These concepts provide insights into chemical bonding, reactivity, and molecular properties, with applications in drug design and materials science.

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