On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates

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Han, Jaebeom, Zhang, Pengzhi, Aksu, Huseyin, Maiti, Buddhadev, Sun, Xiang, Geva, Eitan, Dunietz, Barry D., Cheung, Margaret S.. 2020-09-30. On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates. https://doi.org/10.1021/acs.jctc.0c00796

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