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Rational design of (D-A) copolymers towards high efficiency organic solar cells: DFT and TD-DFT study, Taouali, Walid, Casida Mark E., Znaidia Sami, and Alimi Kamel , Journal of Molecular Graphics and Modelling, Volume 89, p.139–146, (2019)
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, Taouali, Walid, Alimi Kamel, Nangraj Asma Sindhoo, and Casida Mark E. , Journal of Computational Chemistry, Volume n/a, (2023)