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Qi Ou

5 results in Authors: Qi Ou

Materials Science

Overcome the Energy Gap Law in Near-Infrared Emissive Aggregates via Nonadiabatic Coupling Suppression

Jie Xue, Jingyi Xu, Jiajun Ren, Qingxin Liang, Qi Ou, Rui Wang, Zhigang Shuai, JUAN QIAO

524

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1

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Theoretical and Computational Chemistry

Intermolecular Charge-Transfer-Induced Strong Optical Emission from Herringbone H-Aggregates

Qi Sun, Jiajun Ren, Tong Jiang, Qian Peng, Qi Ou, Zhigang Shuai

182

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Theoretical and Computational Chemistry

Cavity quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis. II. Analytic energy gradient

Juejie Yang, Zheng Pei, Erick Calderon Leon, Carly Wickizer, Binbin Weng, Yuezhi Mao, Qi Ou, YIhan Shao

276

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Theoretical and Computational Chemistry

INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations

Vale Cofer-Shabica, Maximilian Menger, Qi Ou, Yihan Shao, Joseph Subotnik, Shirin Faraji

160

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1

Citations

Materials Chemistry

Automatic Screen-out of Ir(III) Complex Emitters by Combined Machine Learning and Computational Analysis

Zheng Cheng, Jiapeng Liu, Tong Jiang, Mohan Chen, Fuzhi Dai, Zhifeng Gao, Guolin Ke, Zifeng Zhao, Qi Ou

494

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