1. [Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus. Issue 20 (10th April 2017) Authors: Witte, Matthias; Rohrmüller, Martin; Gerstmann, Uwe; Henkel, Gerald; Schmidt, Wolf Gero; Herres‐Pawlis, Sonja Journal: Journal of computational chemistry Issue: Volume 38:Issue 20(2017) Page Start: 1752 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A photoredox catalysed Heck reaction via hole transfer from a Ru(ii)-bis(terpyridine) complex to graphene oxide. Issue 70 (25th November 2020) Authors: Rosenthal, Marta; Lindner, Jörg K. N.; Gerstmann, Uwe; Meier, Armin; Schmidt, W. Gero; Wilhelm, René Journal: RSC advances Issue: Volume 10:Issue 70(2020) Page Start: 42930 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Adatom mediated adsorption of N‐heterocyclic carbenes on Cu(111) and Au(111). Issue 6 (30th December 2021) Authors: Jain, Mitisha; Gerstmann, Uwe; Schmidt, Wolf Gero; Aldahhak, Hazem Journal: Journal of computational chemistry Issue: Volume 43:Issue 6(2022) Page Start: 413 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Efficient PAW‐based bond strength analysis for understanding the In/Si(111)(8 × 2) – (4 × 1) phase transition. Issue 26 (18th July 2017) Authors: Lücke, Andreas; Gerstmann, Uwe; Kühne, Thomas D.; Schmidt, Wolf G. Journal: Journal of computational chemistry Issue: Volume 38:Issue 26(2017) Page Start: 2276 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Electron paramagnetic resonance study of ferroelectric phase transition and dynamic effects in a Mn2+ doped [NH4][Zn(HCOO)3] hybrid formate framework. Issue 16 (17th April 2020) Authors: Navickas, Marius; Giriūnas, Laisvydas; Kalendra, Vidmantas; Biktagirov, Timur; Gerstmann, Uwe; Schmidt, Wolf Gero; Mączka, Mirosław; Pöppl, Andreas; Banys, Jūras; Šimėnas, Mantas Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 16(2020) Page Start: 8513 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Impact of finite‐temperature and condensed‐phase effects on theoretical X‐ray absorption spectra of transition metal complexes. Issue 5 (11th October 2018) Authors: Müller, Patrick; Karhan, Kristof; Krack, Matthias; Gerstmann, Uwe; Schmidt, Wolf Gero; Bauer, Matthias; Kühne, Thomas D. Journal: Journal of computational chemistry Issue: Volume 40:Issue 5(2019) Page Start: 712 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Optical response of the Cu2S2 diamond core in Cu2II(NGuaS)2Cl2. Issue 24 (30th June 2016) Authors: Witte, Matthias; Grimm‐Lebsanft, Benjamin; Goos, Arne; Binder, Stephan; Rübhausen, Michael; Bernard, Martin; Neuba, Adam; Gorelsky, Serge; Gerstmann, Uwe; Henkel, Gerald; Gero Schmidt, Wolf; Herres‐Pawlis, Sonja Journal: Journal of computational chemistry Issue: Volume 37:Issue 24(2016) Page Start: 2181 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Third‐Order Susceptibility of Lithium Niobate: Influence of Polarons and Bipolarons. Issue 2 (2nd December 2022) Authors: Kozub, Agnieszka L.; Gerstmann, Uwe; Schmidt, Wolf Gero Journal: Physica status solidi Issue: Volume 260:Issue 2(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗