Suchergebnisse

Alcaraz, M. R.; Montemurro, M.; Pisano, P. L.; Lombardi, J. M.; Bortolato, S. A.: Functional data analysis, a comprehensive framework for processing non-quadrilinear and low-selective data provided by four-way liquid chromatography analysis. Analytica Chimica Acta 1356, 344044 (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 (2025)

Rüscher, M.; Jang, J. B.; Martini, A.; Bischoff, P.; Frandsen, W.; Timoshenko, J.; Roldan Cuenya, B.: Laboratory-Based Time-Resolved In Situ X-Ray Absorption Spectroscopy for Tracking Transformations of Working Electrocatalysts. Chemistry Methods, 2500016 (2025)

Alkan, B.; Duarte Correa, L. J.; Duarte Correa, L. J.; Girgsdies, F.; Koch, G.; Kröhnert, J.; Ertegi, M.; Jiang, S.; Lunkenbein, T.; Trunschke, A.: From “Single Sites” to Stable Nanoparticles Derived from Spray-Flame Synthesized Solid Solutions of Cobalt in MgO for Ammonia Decomposition. ACS Catalysis 15 (7), S. 5781 - 5795 (2025)

Diesen, E.; Dudzinski, A.; Reuter, K.; Bukas, V. J.: Origin of Electrocatalytic Selectivity during the Oxygen Reduction Reaction on Au(111). ACS Catalysis 15 (7), S. 5403 - 5411 (2025)

Lu, G.; Wang, X.; Timoshenko, J.; Roldan Cuenya, B.; Zhao, G.; Huang, X.; Schuhmann, W.; Muhler, M.: A 3D Macroporous Carbon NiCu Single-Atom Catalyst for High Current Density CO₂ Electroreduction. Advanced Functional Materials 35 (14), 2419075 (2025)

Badarinarayana, A. K. M.; Pratsch, C.; Lunkenbein, T.; Jug, F.: Pattern Matching-Based Denoising for Images with Repeated Sub-Structures. Machine Learning and Knowledge Extraction 7 (2), 34 (2025)

Diesen, E.; Coskun, M. U.; Díaz-Coello, S.; Bukas, V. J.; Kunze-Liebhäuser, J.; Reuter, K.: Rationalizing the “anomalous” electrochemical Stark shift of CO at Pt(111) through vibrational spectroscopy and density-functional theory calculations. Surface Science 754, 122694 (2025)

García, M. L.; González-Ingelmo, M.; Usoltsev, O.; Oropeza, F. E.; Timoshenko, J.; Roldan Cuenya, B.; Santamaría, R.; Blanco, C.; Rocha, V. G.: NiFe and NiCo core-shell nanoparticles supported on graphene as efficient catalysts for oxygen evolution reaction. International Journal of Hydrogen Energy 130, S. 313 - 323 (2025)

Gelß, P.; Matera, S.; Klein, R.; Schmidt, B.: Quantum dynamics of coupled excitons and phonons in chain-like systems: Tensor train approaches and higher-order propagators. The Journal of Chemical Physics 162 (15), 154115 (2025)

Guo, H.; Meijer, G.; Yang, X.: A Tribute to Alec M. Wodtke. The Journal of Physical Chemistry A 129 (13), S. 2973 - 2975 (2025)

Jin, L.; Bereck, F. P.; Granwehr, J.; Scheurer, C.: Extending Equivalent Circuit Models for State of Charge and Lifetime Estimation. Electrochemical Science Advances 5 (2), e202400024 (2025)

Shi, R.; Zhang, M.-Y.; Lin, P.; He, L.; Ren, X.: LibRPA: A software package for low-scaling first-principles calculations of random phase approximation electron correlation energy based on numerical atomic orbitals. Computer Physics Communications 309, 109496 (2025)

Cui, M.; Reuter, K.; Margraf, J.: Multi-fidelity transfer learning for quantum chemical data using a robust density functional tight binding baseline. Machine Learning: Science and Technology 6 (1), 015071 (2025)

Lin, C.; Li, J.; Li, G.; Luo, W.; Liu, S.; Hammud, A.; Xia, Y.; Pan, A.; Wolf, M.; Müller, M. et al.; Kumagai, T.: Quantitative comparison of local field enhancement from tip-apex and plasmonic nanofocusing excitation via plasmon-assisted field emission resonances. Nanoscale 17 (12), S. 7164 - 7172 (2025)

Park, J.-H.; Nam, K.; Cho, Y. K.; Arai, M. S.; Kim, D.-H.; Lee, H.: Mercury(II) Ion Sensing through in Situ Synthesis of Gold Nanoparticles. ACS Applied Nano Materials 8 (12), S. 6025 - 6034 (2025)

Moerman, E.; Miranda, H.; Gallo, A.; Irmler, A.; Schäfer, T.; Hummel, F.; Engel, M.; Kresse, G.; Scheffler, M.; Grüneis, A.: Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids. Physical Review B 111 (12), L121202 (2025)

Pan, Y.; Hildebrandt, P.-N.; Zahn, D.; Zacharias, M.; Windsor, Y. W.; Ernstorfer, R.; Caruso, F.; Seiler, H.: Momentum-Resolved Signatures of Carrier Screening Effects on Electron-Phonon Coupling in MoS₂. ACS Nano 19 (11), S. 11381 - 11389 (2025)

Luterbacher, J.; Weckhuysen, B.; Haussener, S.; Roldan Cuenya, B.; Resasco, D. E.; Morales-Guio, C. G.; Jiao, F.; Zheng, N.; Domen, K.; Concepción, P. et al.; Olsson, L.; Berlinguette, C.; Xin, H.: Connecting scales in reaction engineering. Nature Chemical Engineering 2, S. 156 - 159 (2025)

Butnarasu, C.; Safferthal, M.; Thomas, J.; Povolotsky, T. L.; Diehn, R.; Fentker, K.; Mertins, P.; Pagel, K.; Lauster, D. C.: Structural determinants of mucins in influenza virus inhibition: The role of sialylated glycans and molecular size. International Journal of Biological Macromolecules 307 (4), 142357 (2025)