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Multi-directional charge transfers introduced by multiple substitutions and their effects on molecular hyperpolarizability: an ab initio theoretical study

Mutsumi Tomonari, Norio Ookubo, Toshikazu Takada

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Key concepts: Hyperpolarizability, Diagonal, Computational chemistry, Charge (physics), Ab initio, Molecule, Molecular orbital, Chemistry

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Multi-directional charge transfers introduced by multiple substitutions and their effects on molecular hyperpolarizability: an ab initio theoretical study — Research Paper | ScholarLens