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Electronegativity and hardness profiles of a chemical process: Comparison between quantum fluid density functional theory andab initio SCF method

Sankar Kumar Nath, Pratim Kumar Chattaraj

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Key concepts: Electronegativity, Ab initio, Density functional theory, Materials science, Atom (system on chip), Basis set, Computational chemistry, Molecule

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Electronegativity and hardness profiles of a chemical process: Comparison between quantum fluid density functional theory andab initio SCF method — Research Paper | ScholarLens