most citedIsotope effects on molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on SCAN functional

4 citations · 4 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2020★ 4 cited

Isotope effects on molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on SCAN functional

Jianhang Xu, Chunyi Zhang, Linfeng Zhang +3

Feynman path-integral deep potential molecular dynamics (PI-DPMD) calculations have been employed to study both light (HO) and heavy water (DO) within the isothermal-isobar…