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20202022
most citedNew Stable and Fast Ring-Polymer Molecular Dynamics for Calculating Bimolecular Rate Coefficients with Example of OH + CH_4

9 citations · 21 across the 3 of their papers we have counts for

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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…