Modeling the physisorption of bisphenol A on graphene and graphene oxide

Electric Field Effect in Atomically Thin Carbon Films

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Molecular dynamics with coupling to an external bath

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

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