Title: Matching the Probability Distribution On-the-Fly: OPES-Based Dual-Level Free Energy CalculationAuthors: Shuming Cheng, Shengheng Yan and Binju Wang*Abstract: The free energy profile (FE Profile) is essential for understanding chemical processes in complex systems. However, achieving sufficient sampling with a...
Title: Internally hollow Cu2O nanoframes with the abundance of {110} facets enhance direct propylene epoxidationAuthors: Yueming Qiu, Yichen Zhang, Ronghui Zhang, Meng Huang, Kok Bing Tan, Guowu Zhan, Gang Fu*, Qingbiao Li* & Jiale Huang*Abstract: The gas-phase direct epoxidation of propylene (DEP) using molecular o...
Title: Internally hollow Cu2O nanoframes with the abundance of {110} facets enhance direct propylene epoxidationAuthors: Yueming Qiu, Yichen Zhang, Ronghui Zhang, Meng Huang, Kok Bing Tan, Guowu Zhan, Gang Fu*, Qingbiao Li*, Jiale Huang*Abstract: The gas-phase direct epoxidation of propylene (DEP) using molecular ox...
Title: Mechanism guided design to break the trade - off: Boosted propylene epoxidation over Au/BTS -1 - ODA catalystAuthors: Shaodi Sun, Jing Cao, Senxia Ye, Qingbiao Li*, Daohua Sun*Abstract: Propylene oxide (PO) is a vital chemical raw material with an annual global production of 15 million tons. However, the prod...
Title: Metallaphosphirenes with σ-Aromaticity: Capture of Phosphorus Atom by Metalla-AromaticsAuthors: Xin Yang, Xiaoyan Zhang, Yapeng Cai, Haiping Xia*, Hong Zhang*Abstract: Unsaturated phosphorus heterocycles typically exhibit diminished π-aromaticity. A unique entry into metallaphosphirenes featuring σ-aromat...
Title: Enantioselective Total Synthesis of Bipolarolides A and BAuthors: Yufei Liu, Ke Sun, Qi Wei, Jin Chen, Shengling Sun, Yaxin Li, Zhongkai Feng, Yingying Guo, Zhaohong Lu*Abstract: Bipolarolides A and B are members of the ophiobolin family of sesterterpenes, characterized by their intricate cage-like structures...
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