153 citations · 504 across the 15 of their papers we have counts for
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physics.chem-ph2016★ 26 cited
Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding
Yasmine S. Al-Hamdani, Dario Alfè, O. Anatole von Lilienfeld +1
Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces whereas, the role of exchange has…
cond-mat.mtrl-sci2016★ 24 cited
Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: water and other small molecules
Yasmine S. Al-Hamdani, Dario Alfè, O. Anatole von Lilienfeld +1
Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still ho…