1. Density functional theory of the CuA‐like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2. Issue 11 (24th January 2016) Authors: Witte, M.; Gerstmann, U.; Neuba, A.; Henkel, G.; Schmidt, W. G. Journal: Journal of computational chemistry Issue: Volume 37:Issue 11(2016) Page Start: 1005 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Identifying On‐Surface Site‐Selective Chemical Conversions by Theory‐Aided NEXAFS Spectroscopy: The Case of Free‐Base Corroles on Ag(111). Issue 26 (23rd April 2018) Authors: Aldahhak, H.; Paszkiewicz, M.; Rauls, E.; Allegretti, F.; Tebi, S.; Papageorgiou, A. C.; Zhang, Y.‐Q.; Zhang, L.; Lin, T.; Paintner, T.; Koch, R.; Schmidt, W. G.; Barth, J. V.; Schöfberger, W.; Müllegger, S.; Klappenberger, F.; Gerstmann, U. Journal: Chemistry Issue: Volume 24:Issue 26(2018) Page Start: 6787 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗