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Assessment of Density Functional Theory in Predicting Interaction Energies Between Water and Polycyclic Aromatic Hydrocarbons: From Water on Benzene to Water on Graphene
Adeayo Ajala
,
Vamsee K. Voora
,
Narbe Mardirossian
,
Filipp Furche
,
Francesco Paesani
January 2018
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Journal article
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