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Density-functional theory (DFT) and time-dependent DFT study of the chemical and physical origins of key photoproperties of end-group derivatives of a nonfullerene acceptor molecule for bulk heterojunction organic solar cells.
J Comput Chem. 2023 Oct 15;44(27):2130-2148. doi: 10.1002/jcc.27186. Epub 2023 Jul 14.
J Comput Chem. 2023.
PMID: 37452478
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