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De Novo Simulation of Charge Transport through Organic Single-Carrier Devices.
Kaiser S, Kotadiya NB, Rohloff R, Fediai A, Symalla F, Neumann T, Wetzelaer GAH, Blom PWM, Wenzel W. Kaiser S, et al. Among authors: kotadiya nb. J Chem Theory Comput. 2021 Oct 12;17(10):6416-6422. doi: 10.1021/acs.jctc.1c00584. Epub 2021 Sep 30. J Chem Theory Comput. 2021. PMID: 34590481