Objective: Based on the findings that the Conceptual Density Functional Theoretical
descriptors have applications in the real world of chemistry and physics, in this paper, we applied
the said descriptors to evaluate some very important atomic and molecular properties.
Method: We proposed the methods of calculation of equalized molecular electronegativity,
equalized molecular electrophilicity, and equalized molecular nucleophilicity.
Conclusion: We computed the equalized molecular electronegativity and equalized molecular
nucleophilicity of some heteronuclear diatomics under the assumption of charge equalization during
molecule formation and by combining an electrostatic theorem and Conceptual DFT.