Dunyou Wang
20PUBLICATIONS
5CO-AUTHORS
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Publications (20)
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|Nov 20, 2025
Mechanistic Insights and Solvent Effects for the Ambident SCN- + CH3Cl Reaction in Aqueous Solution: A Multilevel QM/MM Study.Nan Wang, Yilin Cheng, Chen Li
|Jul 29, 2025
Ultralow-Barrier CO Oxidation on Bi2O2S-Supported Single-Atom Catalysts: Mechanistic Insights and Electronic Descriptors.Xingchen Jin, Ruoqi Zhang, Delu Gao
|Jul 21, 2025
CO Oxidation on Single Transition Metal Atoms Supported on 2D ZnO: Role of Antibonding-State Center Shifts in Catalytic Efficiency.Delu Gao, Ruoqi Zhang, Dunyou Wang
|Dec 09, 2024
Potentials of Mean Force and Solvent Effects of the CN- + CH3X (X = F, Cl, Br, and I) Reactions by the N-Side Attack in Aqueous Solution.Yanzhen Zhu, Yixuan Li, Dunyou Wang
|Jan 30, 2024
Theoretical study of NH3 , H2 S, and HCN adsorption enhancement on defective graphene-supported Cu19 clusters.Naigui Liu, Delu Gao, Dunyou Wang
|Sep 23, 2023
Enhanced CO adsorption on α-graphyne-supported and defective graphene-supported Cu19 clusters and a modified induction energy model.Delu Gao, Naigui Liu, Dunyou Wang
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