2 papers
physics.chem-ph2021
The effects of ionic liquids on the thermodynamics of H2 activation by frustrated Lewis pairs: a density functional theory study
Xiaoqing Liu, Xue Li, Xiaoqian Yao +2
Nowadays, hydrogen activation by frustrated Lewis pairs (FLPs) and their applications have been demonstrated to be one of emerge research topics in the field of catalysis. Previous…
physics.chem-ph2021
A molecular dynamics simulation study on the frustrated Lewis pairs in ionic liquids
Xiaoqing Liu, Xiaojing Wang, Tianhao Yu +2
Steric hindered frustrated Lewis pairs (FLPs) have been shown to activate hydrogen molecules, and their reactivity is strongly determined by the geometric parameters of the Lewis a…