Publications of Frank R. Wagner

Höhn, P.; Menéndez Crespo, D.; Bobnar, M.; Koželj, P.; Krnel, M.; Prots, Y.; Schmidt, M.; Wagner, F. R.; Grin, Y.: TiNiSi-Type ALiAu (A = Ca, Sr, Ba, Eu, Yb) Compounds: Alternative Use of “Excess” Electrons. Chemistry – A European Journal, e202500134, pp. 1 - 10 (2025)

Cardoso-Gil, R.; Krnel, M.; Wagner, F. R.; Grin, Y.: On Chemical Bonding in ht-Ga₃Rh and Its Effect on Structural Organization and Thermoelectric Behavior. Inorganic Chemistry 63 (26), pp. 12156 - 12166 (2024)

Wagner, F. R.: Delocalization-ratio analysis of 3-center bonding in position-space for closo-boranes and related systems: Approaching the styx picture and beyond. Journal of Computational Chemistry, pp. 1 - 16 (2024)

Wagner, F. R.; Grin, Y.: Topological Octet-Rule Implementation for Deltahedral Boron Hydrides and Related Zintl Clusters of the Main-Group Elements: Flexible Octet-Rule Fulfillment by Mixed 2-and 3-Center Fractional Bonding Scenarios. Inorganic Chemistry 63 (43), pp. 20205 - 20216 (2024)

Yu, C.-C.; Prots, Y.; Koželj, P.; Wagner, F. R.; Baitinger, M.; Grin, Y.: Adaptation of the BaAl₄ Type to Small Cations: The Case of NaGa4. Chemistry 30 (59), e202402457, pp. 1 - 8 (2024)

Yu, C.-C.; Prots, Y.; Ormeci, A.; Krnel, M.; Schmidt, M.; Akselrud, L.; Wagner, F. R.; Grin, Y.; Baitinger, M.: Ordering by cation replacement in the system Na_2−xLixGa₇. Dalton Transactions 53 (3), pp. 908 - 916 (2024)

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)

Freccero, R.; Grin, Y.; Wagner, F. R.: Polarity-extended 8 − N^eff rule for semiconducting main-group compounds with the TiNiSi-type of crystal structure. Dalton Transactions 52, pp. 8222 - 8236 (2023)

Sichevych, O.; Akselrud, L.; Böhme, B.; Bobnar, M.; Baitinger, M.; Wagner, F. R.; Grin, Y.: K₂BaSi₄: Zintl Concept in Position Space. Zeitschrift für anorganische und allgemeine Chemie 649 (19), e202300116, pp. 1 - 8 (2023)

Sichevych, O.; Prots, Y.; Schnelle, W.; Wagner, F. R.; Grin, Y.: Polycation-Polyanion Architecture of the Intermetallic Compound Mg_3-xGa_1+xIr. Molecules 27 (3), 659, pp. 1 - 13 (2022)

Cardoso-Gil, R.; Carrillo-Cabrera, W.; Wagner, F. R.; Grin, Y.: Low-temperature phase of Ga₃Ir: Crystal structure and chemical bonding. Zeitschrift für anorganische und allgemeine Chemie 647 (22), pp. 2181 - 2187 (2021)

Freccero, R.; Hübner, J.-M.; Prots, Y.; Schnelle, W.; Schmidt, M.; Wagner, F. R.; Schwarz, U.; Grin, Y.: “Excess” electrons in LuGe. Angewandte Chemie International Edition 60 (12), pp. 6457 - 6461 (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)

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)

Antonyshyn, I.; Wagner, F. R.; Bobnar, M.; Sichevych, O.; Burkhardt, U.; Schmidt, M.; König, M.; Poeppelmeier, K.; Mackenzie, A. P.; Svanidze, E. et al.; Grin, Y.: Micro-Scale Device—An Alternative Route for Studying the Intrinsic Properties of Solid-State Materials: The Case of Semiconducting TaGeIr. Angewandte Chemie International Edition 59 (27), pp. 11136 - 11141 (2020)

Baitinger, M.; Böhme, B.; Wagner, F. R.; Schwarz, U.: Zintl Defects in Intermetallic Clathrates. Zeitschrift für anorganische und allgemeine Chemie 646 (14), pp. 1034 - 1041 (2020)

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)

Grin, Y.; Fedorchuk, A.; Faria, R. J.; Wagner, F. R.: Atomic Charges and Chemical Bonding in Y-Ga Compounds. Crystals 8 (2), 99, pp. 1 - 11 (2018)