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The top documents tagged [periodic dft]
Water graphene binding energy curve from diffusion Monte Carlo Department of Earth Sciences & Department of Physics and Astronomy, Thomas Young Centre@UCL
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1 The Fe-catalyzed F-T synthesis of Hydrocarbons: A DFT study Fischer-Tropsch synthesis: An Introduction (2 n+1) H 2 + n CO C n H 2n+2 + n H 2 O 2n H
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