502 citations · 759 across the 8 of their papers we have counts for
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physics.chem-ph2020★ 18 cited
Importance of Nuclear Quantum Effects on the Hydration of Chloride Ion
Jianhang Xu, Zhaoru Sun, Chunyi Zhang +4
Path-integral ab initio molecular dynamics (PI-AIMD) calculations have been employed to probe the nature of chloride ion solvation in aqueous solution. Nuclear quantum effects (NQE…
physics.chem-ph2018★ 73 cited
Electron-hole theory of the effect of quantum nuclei on the x-ray absorption spectra of liquid water
Zhaoru Sun, Lixin Zheng, Mohan Chen +3
Electron-hole excitation theory is used to unveil the role of nuclear quantum effects on the X-ray absorption spectral signatures of water, whose structure is computed via path-int…