6 citations · 14 across the 5 of their papers we have counts for
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physics.chem-ph2023★ 4 cited
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model
Chenru Duan, Yuanqi Du, Haojun Jia +1
Transition state (TS) search is key in chemistry for elucidating reaction mechanisms and exploring reaction networks. The search for accurate 3D TS structures, however, requires nu…
physics.chem-ph2022★ 1 cited
The 3d Transition Metal Single Atom Catalysis for Prominent Adsorption Performance Towards Cr(VI) : A First Principle Study
Jianglu Ping, Haojun Jia
The reduction reaction of turning Cr(VI) into Cr(III) by appropriate oxidants together with nanoscale catalysts in contaminated soil and water received significant amount of attent…