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4 Publications
2021 | Journal Article | LibreCat-ID: 40250
Adatom mediated adsorption of N‐heterocyclic carbenes on Cu(111) and Au(111)
M. Jain, U. Gerstmann, W.G. Schmidt, H. Aldahhak, Journal of Computational Chemistry 43 (2021) 413–420.
LibreCat
| DOI
M. Jain, U. Gerstmann, W.G. Schmidt, H. Aldahhak, Journal of Computational Chemistry 43 (2021) 413–420.
2020 | Journal Article | LibreCat-ID: 19207
Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory
S.V. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.
LibreCat
| DOI
S.V. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.
2020 | Journal Article | LibreCat-ID: 19189 | 
Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory
S. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.
LibreCat
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| DOI
| Download (ext.)
S. Badalov, R. Wilhelm, W.G. Schmidt, Journal of Computational Chemistry (2020) 1921–1930.
2004 | Journal Article | LibreCat-ID: 13722
Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials
M. Preuss, W.G. Schmidt, K. Seino, J. Furthmüller, F. Bechstedt, Journal of Computational Chemistry 25 (2004) 112–122.
LibreCat
| DOI
M. Preuss, W.G. Schmidt, K. Seino, J. Furthmüller, F. Bechstedt, Journal of Computational Chemistry 25 (2004) 112–122.