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Number of items: 6.


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). pp. 3721-3729.


Omar, Ömer H ORCID: 0000-0002-5073-4999, Xie, Xiaoyu ORCID: 0000-0002-0644-5460, Troisi, Alessandro ORCID: 0000-0002-5447-5648 and Padula, Daniele ORCID: 0000-0002-7171-7928
(2023) Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening. Journal of the American Chemical Society, 145 (36). pp. 19790-19799.


Xie, Xiaoyu and Troisi, Alessandro ORCID: 0000-0002-5447-5648
(2023) Identification via Virtual Screening of Emissive Molecules with a Small Exciton-Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization. The journal of physical chemistry letters, 14 (17). pp. 4119-4126.


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). pp. 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). pp. 6989-6997.


Shi, Lei ORCID: 0000-0002-5359-7862, Xie, Xiaoyu and Troisi, Alessandro ORCID: 0000-0002-5447-5648
(2022) Rapid calculation of internal conversion and intersystem crossing rate for organic materials discovery. JOURNAL OF CHEMICAL PHYSICS, 157 (13). 134106-.

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