1. Structural, electronic, and thermodynamic properties of TiO2/organic clusters: performance of DFTB method with different parameter sets. Issue 2 (9th September 2020) Authors: Naumov, Vladimir S.; Loginova, Anastasiia S.; Avdoshin, Alexander A.; Ignatov, Stanislav K.; Mayorov, Alexey V.; Aradi, Bálint; Frauenheim, Thomas Journal: International journal of quantum chemistry Issue: Volume 121:Issue 2(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗