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Overview Leadership Blog JoVE Help Center

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Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

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Yinkai Wu

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Journal of Chemical Theory and Computation|September 5, 2025

Cone-Shaped Constrained Quasi-Newton Method: Efficient and Robust Single-Ended Transition State Optimization AlgorithmYinkai Wu, Haifeng Wang

Chemical Communications (Cambridge, England)|May 20, 2025

Resolving the activity and selectivity trends for NH<sub>3</sub>-SCR on metal oxides by microkinetic simulationYing Liu, Yinkai Wu, Haifeng Wang, et al.

Journal of Chemical Theory and Computation|June 5, 2026

HiMac: High-Throughput Initialization of Multidentate Adsorption Configurations for Geometry Relaxation and Transition-State SearchesYinkai Wu, Xiyuan Yu, Cheng Chen, et al.

Pageof 1

Search research articles

Showing results (1-10 of 3) with videos related to

Sort By:

Pageof 1

Journal of Chemical Theory and Computation|September 5, 2025

Cone-Shaped Constrained Quasi-Newton Method: Efficient and Robust Single-Ended Transition State Optimization AlgorithmYinkai Wu, Haifeng Wang

Chemical Communications (Cambridge, England)|May 20, 2025

Resolving the activity and selectivity trends for NH<sub>3</sub>-SCR on metal oxides by microkinetic simulationYing Liu, Yinkai Wu, Haifeng Wang, et al.

Journal of Chemical Theory and Computation|June 5, 2026

HiMac: High-Throughput Initialization of Multidentate Adsorption Configurations for Geometry Relaxation and Transition-State SearchesYinkai Wu, Xiyuan Yu, Cheng Chen, et al.

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