Stuke, A.; Todorović, M.; Rupp, M.; Kunkel, C.; Ghosh, K.: Chemical diversity in molecular orbital energy predictions with kernel ridge regression. The Journal of Chemical Physics 150 (20), 204121 (2019)

Sutton, C. A.; Ghiringhelli, L. M.; Yamamoto, T.; Lysogorskiy, Y.; Blumenthal, L.; Hammerschmidt, T.; Golebiowski, J. R.; Liu, X.; Ziletti, A.; Scheffler, M.: Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition. npj Computational Materials 5, 111 (2019)

Tarasov, A.; Seitz, F.; Schlögl, R.; Frei, E.: In Situ Quantification of Reaction Adsorbates in Low-Temperature Methanol Synthesis on a High-Performance Cu/ZnO:Al Catalyst. ACS Catalysis 9 (6), S. 5537 - 5544 (2019)

Tesch, M.; Bonke, S.; Jones, T.; Shaker, M.; Xiao, J.; Skorupska, K.; Mom, R.; Melder, J.; Kurz, P.; Knop-Gericke, A. et al.; Schlögl, R.; Hocking, R.; Simonov, A. N.: Evolution of Oxygen–Metal Electron Transfer and Metal Electronic States During Manganese Oxide Catalyzed Water Oxidation Revealed with In Situ Soft X‐Ray Spectroscopy. Angewandte Chemie International Edition 58 (11), S. 3426 - 3432 (2019)

Tesch, M.; Bonke, S.; Jones, T.; Shaker, M.; Xiao, J.; Skorupska, K.; Mom, R.; Melder, J.; Kurz, P.; Knop-Gericke, A. et al.; Schlögl, R.; Hocking, R.; Simonov, A. N.: Evolution of Oxygen–Metal Electron Transfer and Metal Electronic States During Manganese Oxide Catalyzed Water Oxidation Revealed with In Situ Soft X-Ray Spectroscopy. Angewandte Chemie 131 (11), S. 3464 - 3470 (2019)

Thämer, M.; Garling, T.; Campen, R. K.; Wolf, M.: Quantitative determination of the nonlinear bulk and surface response from alpha-quartz using phase sensitive SFG spectroscopy. The Journal of Chemical Physics 151 (6), 064707 (2019)

Thomas, D.; Mucha, E.; Lettow, M.; Meijer, G.; Rossi, M.; Helden, G. v.: Characterization of a trans-trans Carbonic Acid-Fluoride Complex by Infrared Action Spectroscopy in Helium Nanodroplets. Journal of the American Chemical Society 141 (14), S. 5815 - 5823 (2019)

Timoshenko, J.; Frenkel, A. I.: “Inverting” X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors. ACS Catalysis 9 (11), S. 10192 - 10211 (2019)

Timoshenko, J.; Ahmadi, M.; Roldan Cuenya, B.: Is There a Negative Thermal Expansion in Supported Metal Nanoparticles? An in Situ X-ray Absorption Study Coupled with Neural Network Analysis. The Journal of Physical Chemistry C 123 (33), S. 20594 - 20604 (2019)

Truppe, S.; Marx, S.; Kray, S.; Doppelbauer, M.; Hofsäss, S.; Schewe, H. C.; Walter, N.; Pérez-Ríos, J.; Sartakov, B. G.; Meijer, G.: Spectroscopic characterization of aluminum monofluoride with relevance to laser cooling and trapping. Physical Review A 100 (5), 052513 (2019)

Urner, L. H.; Schade, B.; Schulze, M.; Folmert, K.; Haag, R.; Pagel, K.: Switchable Solubility of Azobenzene-Based Bolaamphiphiles. ChemPhysChem 20 (13), S. 1690 - 1697 (2019)

Urner, L. H.; Maier, Y. B.; Haag, R.; Pagel, K.: Exploring the Potential of Dendritic Oligoglycerol Detergents for Protein Mass Spectrometry. Journal of the American Society for Mass Spectrometry 30 (1), S. 174 - 180 (2019)

Vanbuel, J.; Fernández, E. M.; Jia, M.-y.; Ferrari, P.; Schöllkopf, W.; Balbás, L. C.; Nguyen, M. T.; Fielicke, A.; Janssens, E.: Hydrogen Chemisorption on Doubly Vanadium Doped Aluminum Clusters. Zeitschrift für Physikalische Chemie 233 (6), S. 799 - 812 (2019)

Vasileiadis, T.; Skountzos, E. N.; Foster, D.; Coleman, S. P.; Zahn, D.; Krecinic, F.; Mavrantzas, V. G.; Palmer, R. E.; Ernstorfer, R.: Ultrafast rotational motions of supported nanoclusters probed by electron diffraction. Nanoscale Horizons 4 (5), S. 1164 - 1173 (2019)

Velasco Vélez, J.; Jones, T.; Gao, D.; Carbonio, E.; Arrigo, R.; Hsu, C.-J.; Huang, Y.-C.; Dong, C. L.; Chen, J.-M.; Lee, J.-F. et al.; Strasser, P.; Roldan Cuenya, B.; Schlögl, R.; Knop-Gericke, A.; Chuang, C.-H.: The Role of the Copper Oxidation State in the Electrocatalytic Reduction of CO₂ into Valuable Hydrocarbons. ACS Sustainable Chemistry & Engineering 7 (1), S. 1485 - 1492 (2019)

Velasco Vélez, J.; Jones, T.; Streibel, V.; Hävecker, M.; Chuang, C.-H.; Frevel, L.; Plodinec, M.; Centeno, A.; Zurutuza, A.; Wang, R. et al.; Arrigo, R.; Mom, R.; Hofmannf, S.; Schlögl, R.; Knop-Gericke, A.: Electrochemically active Ir NPs on graphene for OER in acidic aqueous electrolyte investigated by in situ and ex situ spectroscopies. Surface Science 681, S. 1 - 8 (2019)

Vempati, S. P. K.; Deinert, J.-C.; Gierster, L.; Bogner, L.; Richter, C.; Mutz, N.; Blumstengel, S.; Zykov, A.; Kowarik, S.; Garmshausen, Y. et al.; Hildebrandt, J.; Hecht, S.; Stähler, J.: Uncovering the (un-)occupied electronic structure of a buried hybrid interface. Journal of Physics: Condensed Matter 31 (9), 094001 (2019)

Wagner, C.; Green, M. F. B.; Maiworm, M.; Leinen, P.; Esat, T.; Ferri, N.; Friedrich, N.; Findeisen, R.; Tkatchenko, A.; Temirov, R. et al.; Tautz, F. S.: Quantitative imaging of electric surface potentials with single-atom sensitivity. Nature Materials 18 (8), S. 853 - 859 (2019)

Weng, X.; Cui, Y.; Shaikhutdinov, S. K.; Freund, H.-J.: CO₂ Adsorption on CaO(001): Temperature-Programmed Desorption and Infrared Study. The Journal of Physical Chemistry C 123 (3), S. 1880 - 1887 (2019)

Wernbacher, A. M.; Kube, P.; Hävecker, M.; Schlögl, R.; Trunschke, A.: Electronic and Dielectric Properties of MoV-Oxide (M1 Phase) under Alkane Oxidation Conditions. The Journal of Physical Chemistry C 123 (21), S. 13269 - 13282 (2019)