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Johannes Voss
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MCML: Combining physical constraints with experimental data for a multi-purpose meta-generalized gradient approximation
K. Brown, Y. Maimaiti, K. Trepte, T. Bligaard, J. Voss
Publication
J. Comput. Chem. 42, 2004 (2021)
Date
August, 2021
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Accuracy of XAS theory for unraveling structural changes of adsorbates: CO on Ni(100)
Hubbard-corrected oxide formation enthalpies without adjustable parameters
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