Introduces multi-equalization in conceptual DFT to simultaneously equalize multiple reactivity descriptors beyond conventional electronegativity equalization.
Calculation of bond energies in diatomic molecules
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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.