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Yinkai Wu on Muck Rack

Yinkai Wu

As seen in: Royal Society of Chemistry
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Articles

HiMac: High-Throughput Initialization of Multidentate Adsorption Configurations for Geometry Relaxation and Transition-State Searches Click to copy article link Article link copied!

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By Yinkai Wu, Xiyuan Yu, Cheng Chen
| dx.doi.org
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Cone-Shaped Constrained Quasi-Newton Method: Efficient and Robust Single-Ended Transition State Optimization Algorithm

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By Yinkai Wu, Haifeng Wang
| dx.doi.org
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Resolving the Activity and Selectivity Trends for NH3-SCR on Metal Oxides by Microkinetic Simulation

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By Ying Liu, Haifeng Wang, Haiyang Yuan, Yinkai Wu
| Royal Society of Chemistry Verified
Resolving the Activity and Selectivity Trends for NH3-SCR on Metal Oxides by Microkinetic Simulation Selective catalytic reduction of NO with NH3 (NH3-SCR) in the presence of O2 is a crucial yet complex reaction, primarily influenced by secondary NH₃ and NO oxidation reactions, particularly on widely-used metal oxide catalysts with dual active sites (i.e., metallic site and lattice oxygen).
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