Xiaoli Sun

Computational Chemistry

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2025
Mark Effect of temperature on the interaction rules between grain size and reaction rate of Al-Ga-based alloys for hydrogen generation
Yang, Xinyu ; Shi, Jie ; Jin, Zhijiang ; Qu, Hongyan ; Guo, Mingzhu ; Wang, Hongchao ; Xia, Maosheng ; Zhang, Zhongyuan ; Gao, Qian and Sun, Xiaoli ^LU , et al. (2025) In Journal of Alloys and Compounds 1024.
- Contribution to journal › Article
Mark Reproducibility of QM/MM Calculations for the SARS-CoV-2 Main Protease
Sun, Xiaoli ^LU and Ryde, Ulf ^LU (2025) In Journal of Chemical Theory and Computation 21(15). p.7711-7723
- Contribution to journal › Article
2024
Mark Exploring the factors influencing the ketoenamine-enolimine tautomeric equilibrium of pyridoxal 5′-phosphate in branched-chain aminotransferases
Li, Xue ; Yu, He ; Sun, Jiaqi and Sun, Xiaoli ^LU (2024) In Molecular Catalysis 569.
- Contribution to journal › Article