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Xie, Xiaoyu, Santana-Bonilla, Alejandro, Fang, Weihai, Liu, Chungen, Troisi, Alessandro ORCID: 0000-0002-5447-5648 and Ma, Haibo (2019) Exciton-Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 15 (6). 3721 - 3729.

Xie, Xiaoyu, Santana-Bonilla, Alejandro and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2018) Nonlocal Electron-Phonon Coupling in Prototypical Molecular Semiconductors from First Principles. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 14 (7). 3752 - 3762.

Nematiaram, Tahereh, Ciuchi, Sergio, Xie, Xiaoyu, Fratini, Simone and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2019) Practical Computation of the Charge Mobility in Molecular Semiconductors Using Transient Localization Theory. JOURNAL OF PHYSICAL CHEMISTRY C, 123 (12). 6989 - 6997.