9 citations · 21 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2022★ 9 cited
New Stable and Fast Ring-Polymer Molecular Dynamics for Calculating Bimolecular Rate Coefficients with Example of OH + CH_4
Xiongfei Gui, Wenbin Fan, Jiace Sun +1
The accurate and efficient calculation of the rate coefficients of chemical reactions is a key issue in the research of chemical dynamics. In this work, by applying the dimension-f…
physics.chem-ph2021★ 5 cited
Mechanisms of Molecular Ferroelectrics Made Simple
Xiaoqing Zhu, Wenbin Fan, Wei Ren +1
Molecular ferroelectrics have captured immense attention due to their superiority over inorganic oxide ferroelectrics, such as environmentally friendly, low-cost, flexible, foldabl…
physics.chem-ph2020★ 7 cited
Rate coefficients of a roaming reaction H + MgH using the ring polymer molecular dynamics
Hui Yang, Wenbin Fan, Junhua Fang +2
The ring-polymer molecular dynamics (RPMD) was used to calculate the thermal rate coefficients of the two-channel roaming reaction H + MgH. Both reaction channels, tight and roamin…