Suchergebnisse

Rossi, T. S.; Papaderakis, A. A.; Jaugstetter, M.; Jlailati, Z.; Knoke, M.; Hosseini, P.; Cignoni, P.; Yang, F.; Gerwin, M.; Trost, O. et al.; Spallek, M.; Ortega, E.; Roldan Cuenya, B.; Crans, D. C.; Levinger, N. E.; Tschulik, K.: Bimetallic Ag-Au nanoparticles from nanoconfinement: adjusting properties by electrochemical synthesis. Journal of Materials Chemistry A 13 (29), S. 24014 - 24027 (2025)

Haubenreißer, D. M.; Novikovskiy, N. M.; Melzer, N.; Kircher, M.; Pier, A.; Kaiser, L.; Kruse, J.; Anders, N.; Stindl, J.; Sommerlad, L. et al.; McGinnis, O. D.; Schmidt, M.; Nowak, L.; Kügler, A.; Dwojak, I.; Drnec, J.; Trinter, F.; Schöffler, M. S.; Schmidt, L. P. H.; Jahnke, T.; Dörner, R.; Demekhin, P. V.: Electron Diffraction Imaging of Carbon Monoxide via K-Shell Ionization by Compton Scattering of 20 keV Photons. Physical Review Letters 135 (3), 033203 (2025)

Pokora, M.; Goclon, J.; Margraf, J.; Panosetti, C.; Samtsevych, A.; Paneth, P.: Low-Cost Periodic Calculations of Metal-Organic Frameworks: A GFN1-xTB Perspective. ChemPhysChem 26 (14), 202500081 (2025)

Kaur, H.; Wang, W.; Pérez-Ríos, J.; Martínez-Haya, B.; Redlich, B.; Brünken, S.: Gas-Phase Vibrational Spectra of [C₂H₅O₂]⁺ Isomers: Protonated Glycolaldehyde, Acetic Acid, and Methyl Formate. ACS Earth and Space Chemistry 9 (7), S. 1724 - 1736 (2025)

Schwedland, W.; Penna, T.; Windeck, H.; Müller, F.; Leach, S.; Sauer, J.; Advincula, X. R.; Berger, F.; Ishida, N.; Ohshimo, K. et al.; Misaizu, F.; Li, Y.; Chakraborty, A.; Horn, F.; Asmis, K.: Unexpected structural isomers of AlFe₂O₄⁺ and AlCo₂O₄⁺: vibrational spectroscopy and ion mobility combined with quantum chemistry. Chemical Science 16 (26), S. 11999 - 12011 (2025)

Wang, W.; Liu, X.; Pérez-Ríos, J.: Temperature-driven reaction pathways of gas-phase protonated glycolaldehyde formation and dissociation. Physical Chemistry Chemical Physics (2025)

Mauß, J. M.; Kley, K. S.; Khobragade, R.; Tran, N. K.; De Bellis, J.; Schüth, F.; Scheffler, M.; Foppa, L.: Modeling Time-On-Stream Catalyst Reactivity in the Selective Hydrogenation of Concentrated Acetylene Streams under Industrial Conditions via Experiments and AI. ACS Catalysis 15, S. 12652 - 12665 (2025)

Xu, W.; Sanspeur, R. Y.; Kolluru, A.; Deng, B.; Harrington, P.; Farrell, S.; Reuter, K.; Kitchin, J. R.: Spin-informed universal graph neural networks for simulating magnetic ordering. Proceedings of the National Academy of Sciences of the United States of America 122 (27), e2422973122 (2025)

Kung, J. C. K.; Kádek, A.; Kölbel, K.; Bandelow, S.; Bari, S.; Buck, J.; Caleman, C.; Commandeur, J.; Damjanović, T.; Dörner, S. et al.; Fahmy, K.; Flacht, L.; Heidemann, J.; Huynh, K.; Kopicki, J.-D.; Krichel, B.; Lockhauserbäumer, J.; Lorenzen, K.; Lu, Y.; Pogan, R.; Rehmann, J.; Schamoni-Kast, K.; Schwob, L.; Schweikhard, L.; Springer, S.; Svensson, P. H. W.; Simke, F.; Trinter, F.; Toleikis, S.; Kierspel, T.; Uetrecht, C.: X-ray spectroscopy meets native mass spectrometry: probing gas-phase protein complexes. Physical Chemistry Chemical Physics 27 (25), S. 13234 - 13242 (2025)

Diaconescu, L.; Schaller, S.; Fielicke, A.; Meijer, G.: Analysis of Rydberg Series of Ytterbium Monofluoride, YbF. Journal of Physical Chemistry C 129 (26), S. 5843 - 5850 (2025)

Blahusch, J.; Jakob, K.; Margraf, J.; Reuter, K.; Lotsch, B. V.: Predict before You Precipitate: Learning Templating Effects in Hybrid Antimony and Bismuth Halides. Chemistry of Materials (2025)

Ganose, A. M.; Sahasrabuddhe, H.; Asta, M.; Beck, K.; Biswas, T.; Bonkowski, A.; Bustamante, J.; Chen, X.; Chiang, Y.; Chrzan, D. C. et al.; Clary, J.; Cohen, O. A.; Ertural, C.; Gallant, M. C.; George, J.; Gerits, S.; Goodall, R. E. A.; Guha, R. D.; Hautier, G.; Horton, M.; Inizan, T. J.; Kaplan, A. D.; Kingsbury, R. S.; Kuner, M. C.; Li, B.; Linn, X.; McDermott, M. J.; Mohanakrishnan, R. S.; Naik, A. N.; Neaton, J. B.; Parmar, S. M.; Persson, K. A.; Petretto, G.; Purcell, T. A. R.; Ricci, F.; Rich, B.; Riebesell, J.; Rignanese, G.-M.; Rosen, A. S.; Scheffler, M.; Schmidt, J.; Shen, J.-X.; Sobolev, A.; Sundararaman, R.; Tezak, C.; Trinquet, V.; Varley, J. B.; Vigil-Fowler, D.; Wang, D.; Waroquiers, D.; Wen, M.; Yang, H.; Zheng, H.; Zheng, J.; Zhu, Z.; Jain, A.: Atomate2: modular workflows for materials science. Digital Discovery 2025 (7), S. 1944 - 1973 (2025)

Holburg, J.; Figul, S.; Charvat, A.; Bluhm, H.; Abel, B.; Marowsky, G.; Mai, D.-D.; Mann, K.: Soft X-Ray Absorption Spectroscopy With a Flat Liquid Jet in Vacuum Using a Table-Top Laser-Induced Plasma Source. X-Ray Spectrometry 54 (4), S. 394 - 400 (2025)

Hund, S.; Bubnov, N.; Lüdtke, T.; Duarte Correa, L. J.; Pöttker-Menke, J.; Selve, S.; Wurl, S.; Lunkenbein, T.; Mei, B.; Lerch, M.: Synthesis and crystal structures of new phases in the system Hf–Ta–O–N. Zeitschrift für Naturforschung B 80 (6-7), S. 285 - 294 (2025)

Möller, J.; Caresana, M.; Schottelius, A.; Lehmkühler, F.; Boesenberg, U.; Caupin, F.; Dallari, F.; Ezquerra, T. A.; Fernández, J. M.; Gelisio, L. et al.; Goy, C.; Hallmann, J.; Kalinin, A.; Kim, C.; Kurta, R. P.; Lapkin, D.; Mambretti, F.; Scholz, M.; Shayduk, R.; Steinbrügge, R.; Trinter, F.; Vartanyants, I. A.; Zozulya, A.; Galli, D. E.; Grübel, G.; Madsen, A.; Grisenti, R. E.: Femtosecond X-ray cross-correlation analysis of disordered crystals forming in a supercooled atomic liquid. IUCrJ 12 (4), S. 462 - 471 (2025)

Timoshenko, J.; Kordus, D.; Mathiesen, J.; Hejral, U.; Zeller, P.; Behrendt, G.; Öztuna, E.; Wang, J.; Gheisari, Z.; Eckert, R. et al.; Reitmeier, S.; Reitzmann, A.; Ruland, H.; Folke, J.; Lunkenbein, T.; Roldan Cuenya, B.: X-ray absorption by a microgranular sample. Physical Review B 112 (2), 024105 (2025)

Bloß, D.; Dupuy, R.; Trinter, F.; Unger, I.; Walsh, N.; Öhrwall, G.; Golchert, N.; Klassen, G.; Krone, A.; Terao, Y. et al.; Viehmann, J. H.; Wülfing, L.; Richter, C.; Buttersack, T.; Cederbaum, L. S.; Hergenhahn, U.; Björneholm, O.; Ehresmann, A.; Hans, A.: Site- and Energy-Selective Low-Energy Electron Emission by X-rays in the Aqueous Phase. Journal of the American Chemical Society 147 (25), S. 22115 - 22120 (2025)

Chan, Y.-T.; Grosu, C.; Kick, M.; Jakes, P.; Gigl, T.; Seidlmayer, S.; Egger, W.; Eichel, R.-A.; Granwehr, J.; Hugenschmidt, C. et al.; Scheurer, C.: The origin of enhanced conductivity and structure change in defective Li₄Ti₅O₁₂: a study combining theoretical and experimental perspectives†. Journal of Materials Chemistry A 2025 (2025)

Foppa, L.; Scheffler, M.: Coherent collections of rules describing exceptional materials identified with a multi-objective optimization of subgroups. Digital Discovery (2025)

Cao, Y.; Keller, E.; Rowen, J. F.; Margraf, J.; Reuter, K.; Morgenstern, K.: Self-Assembly of Monosized Cyclic Nanoarchitectures under Surface Confinement. ACS Nano 19 (24), S. 21942 - 21949 (2025)