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Published in 2017 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.24684
Abstract: A key parameter dictating the rate of charge transfer (CT) is reorganization energy (λ), an energy associated with geometry changes during hole/electron transfer. We show that “ironing” the inter‐ring dihedral angles of oligothiophenes via proper…
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Keywords:
external electric;
field thiophene;
thiophene based;
applying strong ... See more keywords