Non-negligible Outer-Shell Reorganization Energy for Charge Transfer in Nonpolar Systems.

J Chem Theory Comput · 2024 · PMC11360142 · PMID 39143838

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quite significantno p-value reported

However, low-frequency modes contain intermolecular motions, which can be totally different at different temperatures; thus, their influence on the charged-state energy can be quite significant.

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