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The Journal of Physical Chemistry. A|October 23, 2024
Periodic Bonding Behaviors of Actinide Atoms (An = Th-Cm) with Negatively Curved NanographeneJiguang Du, Xiujuan Cheng, Xuying Zhou, et al.Physical Chemistry Chemical Physics : PCCP|June 7, 2024
Iodine capture of a two-dimensional layered uranyl-organic framework: a combined DFT and AIMD studyMingyang Shi, Kunyang Cheng, Xiujuan Cheng, et al.Physical Chemistry Chemical Physics : PCCP|March 28, 2024
Transition metal single-atoms supported on hexagonal ZnIn<sub>2</sub>S<sub>4</sub> monolayers for the hydrogen evolution reactionXiujuan Cheng, Kunyang Cheng, Xuying Zhou, et al.The Journal of Chemical Physics|September 17, 2025
Interaction of gas molecules with cyclo[N]carbon: Size dependence and atomic doping modulationMingyang Shi, Xiujuan Cheng, Xuying Zhou, et al.Physical Review. E|June 19, 2025
Deep-learning interatomic potentials of the ɛ-ZrX_{2} series (X=H, D, and T)Kunyang Cheng, Xiujuan Cheng, Mingyang Shi, et al.Pageof 3