Yang He

7PUBLICATIONS
5CO-AUTHORS
Structure and dynamics of materialsElemental semiconductorsMetal organic frameworksCatalysis and mechanisms of reactionsMain group metal chemistry
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Publications (7)

|Sep 13, 2025
Unraveling the Potential Kinetic Stability of Uranyl Cation-Cation Interactions-Driven Dimers in Aqueous Solutions.

Yang He, Chang-Yi Tian, Han-Shi Hu

|Jun 09, 2025
A design strategy for single-molecule magnet materials with fullerene confinement-induced unpaired f-electrons.

Xiao-Kun Zhao, Jing Zhao, Shi-Ru Wei

|Jan 24, 2025
Theoretical Design for Thorium-Containing Two-Dimensional Materials.

Zi-He Zhang, Shi-Ru Wei, Xiao-Kun Zhao

|Jan 17, 2025
Computational Explorations of Th<sup>4+</sup> First Hydrolysis Reaction Constants: Insights from <i>Ab Initio</i> Molecular Dynamics and Density Functional Theory Calculations.

Yang He, Chang-Yi Tian, Shiru Wei

|Oct 08, 2024
Theoretical Design of Thorium Nitride MXenes.

Zi-He Zhang, Shi-Ru Wei, Lian-Wei Ye

|Sep 12, 2024
Structures of Th<sup>4+</sup> aqueous solutions: insights from AIMD and metadynamics simulations.

Yang He, Jun-Bo Lu, Yang-Yang Zhang

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Frequent Collaborators

7 joint publications

Han-Shi Hu

6 joint publications

Jun Li

2 joint publications

Lian-Wei Ye

2 joint publications

Xiao-Kun Zhao