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Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25539
Abstract: The singlet fission (SF) dynamics of pentacene linear aggregate models are investigated using the quantum master equation method by focusing on the Frenkel excitonic (FE) coupling effects on the SF rate and double triplet (TT)…
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Keywords:
singlet fission;
aggregate models;
pentacene linear;
size ... See more keywords