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Published in 2021 at "Journal of biological physics"
DOI: 10.1007/s10867-021-09576-7
Abstract: The exciton transfer between light-harvesting complex 1(LH1) and photosynthetic reaction center dimer is investigated theoretically. We assume a ring shape structure of the LH1 complex with dimer in the ring centre. The kinetic equations which…
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Keywords:
antenna complex;
exciton transfer;
dimer;
reaction center ... See more keywords
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Published in 2020 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c00246
Abstract: Quantum mechanical simulations of charge and exciton transfer in molecular organic materials are a key method to increase our understanding of organic semiconductors. Our goal is to build an efficient multi-scale model to predict charge…
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Keywords:
machine;
transfer simulations;
exciton transfer;
charge exciton ... See more keywords
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Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c12889
Abstract: Understanding how the complex interplay among excitonic interactions, vibronic couplings, and reorganization energy determines coherence-enabled transport mechanisms is a grand challenge with both foundational implications and potential payoffs for energy science. We use a combined…
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Keywords:
cofacial porphyrin;
coherence;
exciton dynamics;
porphyrin dimers ... See more keywords