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• W2007886167 abstract "The adsorption and activation of a CO₂ molecule on cubic δ-MoC(001) and orthorhombic β-Mo₂C(001) surfaces have been investigated by means of periodic density functional theory based calculations using the Perdew–Burke–Ernzerhof exchange–correlation functional and explicitly accounting for (or neglecting) the dispersive force term description as proposed by Grimme." @default.
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• W2007886167 date "2014-01-01" @default.
• W2007886167 modified "2023-10-12" @default.
• W2007886167 title "The bending machine: CO₂ activation and hydrogenation on δ-MoC(001) and β-Mo₂C(001) surfaces" @default.
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• W2007886167 doi "https://doi.org/10.1039/c4cp01943a" @default.
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