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4 Publications
2021 | Journal Article | LibreCat-ID: 40250
Jain, M., Gerstmann, U., Schmidt, W. G., & Aldahhak, H. (2021). Adatom mediated adsorption of <scp>N‐heterocyclic</scp> carbenes on Cu(111) and Au(111). Journal of Computational Chemistry, 43(6), 413–420. https://doi.org/10.1002/jcc.26801
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| DOI
2020 | Journal Article | LibreCat-ID: 19207
Badalov, S. V., Wilhelm, R., & Schmidt, W. G. (2020). Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory. Journal of Computational Chemistry, 1921–1930. https://doi.org/10.1002/jcc.26363
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19189 | 
Badalov, S., Wilhelm, R., & Schmidt, W. G. (2020). Photocatalytic properties of graphene‐supported titania clusters from density‐functional theory. Journal of Computational Chemistry, 1921–1930. https://doi.org/10.1002/jcc.26363
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2004 | Journal Article | LibreCat-ID: 13722
Preuss, M., Schmidt, W. G., Seino, K., Furthmüller, J., & Bechstedt, F. (2004). Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials. Journal of Computational Chemistry, 25(1), 112–122. https://doi.org/10.1002/jcc.10372
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