Density-functional-based tight-binding parameterization of Mo, C, H, O and Si for studying hydrogenation reactions on molybdenum carbide

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RT @AndersSChristen: Liu et al. (2016) "DFTB parameterization of Mo, C, H, O and Si for studying hydrogenation reactions" https://t.co/xGNA…

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Liu et al. (2016) "DFTB parameterization of Mo, C, H, O and Si for studying hydrogenation reactions" https://t.co/xGNAEGC9S6 #CompChem

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