"A fast scheme to calculate electronic couplings between P3HT polymer units ..."

Tao Yu et al. (2019)

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DOI: 10.1002/JCC.25749

access: closed

type: Journal Article

metadata version: 2020-04-01

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Tao Yu, Florence Fabunmi, Jingsong Huang, Bobby G. Sumpter, Jacek Jakowski:
A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulations. J. Comput. Chem. 40(2): 532-542 (2019)

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