Zhongzhi Yang

20PUBLICATIONS
7CO-AUTHORS
Theoretical quantum chemistryMetal cluster chemistryCatalysis and mechanisms of reactionsChemical thermodynamics and energeticsChemical and thermal processes in energy and combustion
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Publications (20)

|Sep 15, 2026
Quantum chemical topology based on the Kohn-Sham one-electron potential for investigating the reaction mechanisms of nitrogen-centered radicals.

|Sep 01, 2026
Accelerating KSpot Charge Evaluation in Nucleic Acids via ABEEM Polarizable Force Field.

|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

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Frequent Collaborators

12 joint publications

Dongxia Zhao

10 joint publications

Cui Liu

5 joint publications

Lidong Gong

4 joint publications

Jian Zhao