Introduces multi-equalization in conceptual DFT to simultaneously equalize multiple reactivity descriptors beyond conventional electronegativity equalization.
Local reactivity descriptors of the important atoms in chelotropic reactions provide insight into their global variants along the reaction path
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Multi-Equalization in Conceptual Density Functional Theory: Beyond Electronegativity Equalization
Introduces multi-equalization in conceptual DFT to simultaneously equalize multiple reactivity descriptors beyond conventional electronegativity equalization.