Solvation Induction of Free Energy Barriers of Decarboxylation Reactions in Aqueous Solution from Dual-Level QM/MM Simulations

por Zhou, Shaoyuan, Wang, Yingjie, Gao, Jiali
Publicado 2021

Multistate Energy Decomposition Analysis of Molecular Excited States

por Hettich, Christian P., Zhang, Xiaoyong, Kemper, David, Zhao, Ruoqi, Zhou, Shaoyuan, Lu, Yangyi, Gao, Jiali, Zhang, Jun, Liu, Meiyi
Publicado 2023

A halogen bond-mediated highly active artificial chloride channel with high anticancer activity

por Ren, Changliang, Ding, Xin, Roy, Arundhati, Shen, Jie, Zhou, Shaoyuan, Chen, Feng, Yau Li, Sam Fong, Ren, Haisheng, Yang, Yi Yan, Zeng, Huaqiang
Publicado 2018