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Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Band-like Charge Transport in Organic Semiconductors
Xie, Weiwei, Holub, Daniel, Kubar, Tomas, Elstner, MarcusLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b01271
Date:
March, 2020
File:
PDF, 4.09 MB
english, 2020