Minghui Yang

26PUBLICATIONS
22CO-AUTHORS
Theoretical quantum chemistryCatalysis and mechanisms of reactionsAtomic and molecular physicsStructure and dynamics of materialsRadiation and matter
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Publications (26)

|Mar 18, 2026
Frozen natural orbitals for projection-based embedding method and its application to quantum computation.

Tong Cheng, Jun Zeng, Minghui Yang

|Nov 28, 2025
Control of Conical Intersection Dynamics in CF3I Photodissociation via Halogen Bonding.

Dong Yan, Huimin Zhang, Fangfang Li

|Jul 07, 2025
Mode-Specific Quantum and Quasi-Classical Trajectory Dynamics of the F- + CH3I → I- + CH3F SN2 Reaction.

Yan Wang, Zhao Tu, Gábor Czakó

|Mar 12, 2025
Revealing a Heavy-Atom Assisted Rotation Mechanism in the H + NH2Cl Multi-Channel Reaction.

Yizhuo Chen, Zhao Tu, Jiaqi Li

|Feb 14, 2025
Mechanical Interlocking of 144 Symmetrical 19F and Tetraphenylethylene for Magnetic Resonance-Fluorescence Dual Imaging.

Lan Yang, Fang Wang, Yu Li

|Dec 25, 2024
Aromatic-aromatic interactions drive fold switch of GA95 and GB95 with three residue difference.

Chen Chen, Zeting Zhang, Mojie Duan

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Frequent Collaborators

16 joint publications

Hongwei Song

4 joint publications

Yongfa Zhu

3 joint publications

Xin Zhou

2 joint publications

Zhi-Heng Loh