On the Interplay between Electronic Structure and...

Journal of Chemical Theory and Computation 2020 / 09

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

Han, Jaebeom, Zhang, Pengzhi, Aksu, Huseyin, Maiti, Buddhadev, Sun, Xiang, Geva, Eitan, Dunietz, Barry D., Cheung, Margaret S.
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00796
Date:
September, 2020
File:
PDF, 1.72 MB
2020
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