225 citations · 244 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2018★ 1 cited
Nearest-Neighbor Broken Bond Model for Describing the Surface Energies of Transition Metals
Xiao-Yan Li, Beien Zhu, Yi Gao
In our recent works, we used a nearest-neighbor broken bond (NNBB) model to fit the surface energy of Pt, Pd, and Au surfaces [Adv. Theory Simul. 1800127 (2018)]. It was verified t…
physics.chem-ph2018★ 9 cited
Electronic quantum effect on hydrogen bond geometry in water dimer
Danhui Li, Zhiyuan Zhang, Wanrun Jiang +3
During compression of a water dimer calculated with high-precision first-principles methods, the trends of H-bond and O-H bond lengths show quantum effect of the electronic structu…