375 citations · 576 across the 9 of their papers we have counts for
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physics.chem-ph2019★ 1 cited
Optimizing the value for DFT+U calculation of paramagnetic solid-state NMR shifts by double Fermi-contact-shift verification
Y. Liu, L. Zeng, C. Xu +4
The isotropic chemical shifts can be calculated either by full-electron configuration, or by hybrid functionals, which costs a large amount of computational resources. To save the…
cond-mat.mtrl-sci2019★ 22 cited
Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction
Michelle A. Hunter, Julia M. T. A. Fischer, Marlies Hankel +2
Metal heteroatoms dispersed in nitrogen-doped graphene display promising catalytic activity for fuel cell reactions such as the hydrogen evolution reaction (HER). Here we explore t…