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most citedTheory of Frequency Fluctuation of Intramolecular Vibration in Solution Phase: Application to C--N Stretching Mode of Organic Compounds

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physics.chem-ph2024★ 1 cited

Theory of Frequency Fluctuation of Intramolecular Vibration in Solution Phase: Application to C--N Stretching Mode of Organic Compounds

Naoki Negishi, Daisuke Yokogawa

We formulate frequency fluctuations of intramolecular vibrations of a solute by exploring the fluctuation of the electrostatic potential by solvents. We present a numerical methodo…