Molecular Electrostatic Potential (MESP) The electron density is an incredibly significant factor for investigating the reactivity of electrophilic (E) and nucleophilic (Nu) sites and the interactions of hydrogen bonds [ 30 ], as well as this density, is related to the molecular electrostatic potential (MESP).
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Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications.
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