Zhongzhi Yang

18PUBLICATIONS
7CO-AUTHORS
Metal cluster chemistryCatalysis and mechanisms of reactionsChemical thermodynamics and energeticsChemical and thermal processes in energy and combustionElectrochemistry
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Publications (18)

|Jul 31, 2026
Structural Evolution of Hydrated Alkaline-Earth Metal Ion Clusters via Molecular Face Theory with Kohn-Sham One-Electron Potential.

|Oct 14, 2025
The ABEEM/MM Calcium Polarizable Force Field: Parameterization and Applications in Aqueous Solutions and Protein Segments.

Runqiang Yu, Linan Lu, Linlin Liu

|Jul 03, 2025
ABEEM Polarizable Force Field for PC Lipids: Parameterization and Molecular Dynamics Simulations.

Xiaoyu Wang, Linlin Liu, Peiran Meng

|Jun 30, 2025
Transition from Noncovalent Interaction to Covalent Bond Based on One-Electron Potential, Quantum Chemical Topology, and Molecular Face Theory.

Xin-Meng Liu, Dong-Xia Zhao, Zhong-Zhi Yang

|Apr 12, 2024
Origin of Enantioselectivity in Engineered Cytochrome c-Catalyzed Carbon-Radical FePP Hydrolysis Revealed Using QM/MM (ABEEM Polarizable Force Field) and MD Simulations.

Hong Huang, Dong-Xia Zhao, Jian Zhao

|Dec 12, 2023
Development of a QM/MM(ABEEM) method for the deprotonation of neutral and cation radicals in the G-tetrad and GGX(8-oxo-G) tetrad.

Yue Wang, Linlin Liu, Yue Gao

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Frequent Collaborators

10 joint publications

Dongxia Zhao

10 joint publications

Cui Liu

5 joint publications

Lidong Gong

3 joint publications

Jian Zhao