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Journal of Chemical Theory and Computation|April 24, 2024
All-Atom Photoinduced Charge Transfer Dynamics in Condensed Phase via Multistate Nonlinear-Response Instantaneous Marcus TheoryZengkui Liu, Zailing Song, Xiang Sun
The Journal of Chemical Physics|September 22, 2022
Imaginary-time open-chain path-integral approach for two-state time correlation functions and applications in charge transferZengkui Liu, Wen Xu, Mark E Tuckerman, et al.
The Journal of Chemical Physics|July 9, 2021
Three-state harmonic models for photoinduced charge transferDominikus Brian, Zengkui Liu, Barry D Dunietz, et al.
The Journal of Chemical Physics|July 9, 2024
Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamicsZengkui Liu, Ningyi Lyu, Zhubin Hu, et al.
Journal of the American Chemical Society|September 9, 2025
Convergent Paired Electrolysis Enables Electrochemical Halogen-Atom Transfer-Mediated Alkyl Radical Cross-CouplingXiang Sun, Ke Zheng
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