Freccero, R.; Grin, Y.; Wagner, F. R.: Polarity-extended 8 − Neff rule for semiconducting main-group compounds with the TiNiSi-type of crystal structure. Dalton Transactions 52, pp. 8222 - 8236 (2023)
Bergner, C.; Grin, Y.; Wagner, F. R.: Fourier-synthesis approach for static charge-density reconstruction from theoretical structure factors of CaB6. Acta Crystallographica Section A: Foundations and Advances 79 (3), pp. 246 - 272 (2023)
Menéndez Crespo, D.; Wagner, F. R.; Francisco, E.; Pendás, Á. M.; Grin, Y.; Kohout, M.: Interacting Quantum Atoms Method for Crystalline Solids. The Journal of Physical Chemistry A 125 (40), pp. 9011 - 9025 (2021)
Jach, F.; Wagner, F. R.; Amber, Z. H.; Ruesing, M.; Hunger, J.; Prots, Y.; Kaiser, M.; Bobnar, M.; Jesche, A.; Eng, L. M.et al.; Ruck, M.; Hoehn, P.: Tricyanidoferrates(-IV) and Ruthenates(-IV) with Non-Innocent Cyanido Ligands. Angewandte Chemie, International Edition in English 60 (29), pp. 15879 - 15885 (2021)
Kotsch, M.; Prots, Y.; Ormeci, A.; Bobnar, M.; Wagner, F. R.; Senyshyn, A.; Grin, Y.: From Zintl to Wade: Ba3LiGa5 – A Structure Pattern with Pyramidal Cluster Chains –[Ga5]n–. European Journal of Inorganic Chemistry (29), pp. 2842 - 2849 (2020)
Freccero, R.; Solokha, P.; De Negri, S.; Saccone, A.; Grin, Y.; Wagner, F. R.: Polar-Covalent Bonding Beyond the Zintl Picture in Intermetallic Rare-Earth Germanides. Chemistry – A European Journal 25, pp. 6600 - 6612 (2019)
Chatterji, T.; Wdowik, U. D.; Jaglo, G.; Rols, S.; Wagner, F. R.: Soft-phonon dynamics of the thermoelectric β-SnSe at high temperatures. Physics Letters. A 382 (29), pp. 1937 - 1941 (2018)
Wagner, F. R.; Bende, D.; Grin, Y.: Kovalenz und Ionizität in Verbindungen mit MgAgAs-Struktur: Von Konzepten zur Strukturvorhersage. Jahrbuch - Max-Planck-Gesellschaft (2017)
Bende, D.; Wagner, F. R.; Sichevych, O.; Grin, Y.: Chemical Bonding Analysis as a Guide for the Preparation of New Compounds: The Case of VIrGe and HfPtGe. Angewandte Chemie International Edition in English 56 (5), pp. 1313 - 1318 (2017)
Bende, D.; Wagner, F. R.; Sichevych, O.; Grin, Y.: Chemical Bonding Analysis as a Guide for the Preparation of New Compounds: The Case of VIrGe and HfPtGe. Angewandte Chemie 129 (5), pp. 1333 - 1338 (2017)