Journal Article (8213)

221.
Journal Article
Lai, K. C.; Matera, S.; Scheurer, C.; Reuter, K.: A fuzzy classification framework to identify equivalent atoms in complex materials and molecules. The Journal of Chemical Physics 159 (2), 024129 (2023)
222.
Journal Article
Langer, M. F.; Frank, J. T.; Knoop, F.: Stress and heat flux via automatic differentiation. The Journal of Chemical Physics 159 (17), 174105 (2023)
223.
Journal Article
Langer, M. F.; Knoop, F.; Carbogno, C.; Scheffler, M.; Rupp, M.: Heat flux for semilocal machine-learning potentials. Physical Review B 108 (10), L100302 (2023)
224.
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Le, H. V.; Ho, P. H.; Trunschke, A.; Schomäcker, R.; Thomas, A.: Stepwise conversion of methane to methanol on Cu and Fe/zeolites prepared in solid state: the effect of zeolite type and activation temperature. Journal of Chemical Technology and Biotechnology 98 (11), pp. 2716 - 2725 (2023)
225.
Journal Article
Lee, S. W.; Lopez-Luna, M.; Berdunov, N.; Wan, W.; Kunze, S.; Shaikhutdinov, S. K.; Roldan Cuenya, B.: Unraveling surface structures of gallium promoted transition metal catalysts in CO2 hydrogenation. Nature Communications 14, 4649 (2023)
226.
Journal Article
Lee, S. W.; Subramanian, A.; Zamudio, F. B.; Zhong, J.; Kozlov, S. M.; Shaikhutdinov, S. K.; Roldan Cuenya, B.: Interaction of Gallium with a Copper Surface: Surface Alloying and Formation of Ordered Structures. The Journal of Physical Chemistry C 127 (42), pp. 20700 - 20709 (2023)
227.
Journal Article
Lee, Y.; Timmermann, J.; Panosetti, C.; Scheurer, C.; Reuter, K.: Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO2(100)-c(2 × 2) Reconstruction and (410) Vicinal. The Journal of Physical Chemistry C 127 (35), pp. 17599 - 17608 (2023)
228.
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Leitenstorfer, A.; Moskalenko, A. S.; Kampfrath, T.; Kono, J.; Camus, E. C.-; Peng, K.; Qureshi, N.; Turchinovich, D.; Tanaka, K.; Markelz, A. G. et al.; Havenith, M.; Hough, C.; Joyce, H. J.; Padilla, W. J.; Zhou, B.; Kim, K.-Y.; Zhang, X.-C.; Jepsen, P. U.; Dhillon, S.; Vitiello, M.; Linfield, E.; Davies, A. G.; Hoffmann, M. C.; Lewis, R.; Tonouchi, M.; Klarskov, P.; Seifert, T.; Gerasimenko, Y. A.; Mihailovic, D.; Huber, R.; Boland, J. L.; Mitrofanov, O.; Dean, P.; Ellison, B. N.; Huggard, P. G.; Rea, S. P.; Walker, C.; Leisawitz, D. T.; Gao, J. R.; Li, C.; Chen, Q.; Valušis, G.; Wallace, V. P.; Pickwell-MacPherson, E.; Shang, X.; Hesler, J.; Ridler, N.; Renaud, C. C.; Kallfass, I.; Nagatsuma, T.; Zeitler, J. A.; Arnone, D.; Johnston, M. B.; Cunningham, J.: The 2023 Terahertz Science and Technology Roadmap. Journal of Physics D: Applied Physics 56 (22), 223001 (2023)
229.
Journal Article
Leitherer, A.; Yeo, B. C.; Liebscher, C. H.; Ghiringhelli, L. M.: Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy. npj Computational Materials 9, 179 (2023)
230.
Journal Article
Leroux, J.; Kotobi, A.; Hirsch, K.; Lau, T.; Ortiz-Mahecha, C.; Maksimov, D.; Meißner, R.; Oostenrijk, B.; Rossi, M.; Schubert, K. et al.; Timm, M.; Trinter, F.; Unger, I.; Zamudio-Bayer, V.; Schwob, L.; Bari, S.: Mapping the electronic transitions of protonation sites in peptides using soft X-ray action spectroscopy. Physical Chemistry Chemical Physics 25 (37), pp. 25603 - 25618 (2023)
231.
Journal Article
Lettow, M.; Greis, K.; Mucha, E.; Lambeth, T. R.; Yaman, M.; Kontodimas, V.; Manz, C.; Hoffmann, W.; Meijer, G.; Julian, R. R. et al.; Helden, G. v.; Marianski, M. R.; Pagel, K.: Decoding the Fucose Migration Product during Mass-Spectrometric Analysis of Blood Group Epitopes. Angewandte Chemie International Edition 62 (24), e202302883 (2023)
232.
Journal Article
Li, Z.-Y.; Horn, F.; Li, Y.; Mou, L.-H.; Schöllkopf, W.; Chen, H.; He, S.-G.; Asmis, K. R.: Dinitrogen Activation in the Gas Phase: Spectroscopic Characterization of C–N Coupling in the V3C+ + N2 Reaction. Chemistry – A European Journal 29 (14), e202203384 (2023)
233.
Journal Article
Lin, C.; Krecinic, F.; Yoshino, H.; Hammud, A.; Pan, A.; Wolf, M.; Müller, M.; Kumagai, T.: Continuous-Wave Multiphoton-Induced Electron Transfer in Tunnel Junctions Driven by Intense Plasmonic Fields. ACS Photonics 10 (10), pp. 3637 - 3646 (2023)
234.
Journal Article
Lin, Q.; Lan, H.; Ma, C.; Stendall, R. T.; Shankland, K.; Musgrave, R. A.; Horton, P. N.; Baldauf, C.; Hofmann, H.-J.; Butts, C. P. et al.; Müller, M. M.; Cobb, A. J. A.: Crystal Structure and NMR of an α,δ-Peptide Foldamer Helix Shows Side-Chains are Well Placed for Bifunctional Catalysis: Application as a Minimalist Aldolase Mimic. Angewandte Chemie International Edition 62 (36), e202305326 (2023)
235.
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Litman, Y.; Bonafé, F. P.; Akkoush, A.; Appel, H.; Rossi, M.: First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images. The Journal of Physical Chemistry Letters 14 (30), pp. 6850 - 6859 (2023)
236.
Journal Article
Liu, H.; Timoshenko, J.; Bai, L.; Li, Q.; Rüscher, M.; Sun, C.; Roldan Cuenya, B.; Luo, J.: Low-Coordination Rhodium Catalysts for an Efficient Electrochemical Nitrate Reduction to Ammonia. ACS Catalysis 13 (2), pp. 1513 - 1521 (2023)
237.
Journal Article
Liu, P.; Klyushin, A.; Surendran, P. C.; Fedorov, A.; Xie, W.; Zeng, C.; Huang, X.: Carbon Encapsulation of Supported Metallic Iridium Nanoparticles: An in Situ Transmission Electron Microscopy Study and Implications for Hydrogen Evolution Reaction. ACS Nano 17 (23), pp. 24395 - 24403 (2023)
238.
Journal Article
Liu, S.; Bonafe, F. P.; Appel, H.; Rubio, A.; Wolf, M.; Kumagai, T.: Inelastic Light Scattering in the Vicinity of a Single-Atom Quantum Point Contact in a Plasmonic Picocavity. ACS Nano 17 (11), pp. 10172 - 10180 (2023)
239.
Journal Article
Liu, S.; Vijay, S.; Xu, M.; Cao, A.; Prats, H.; Kastlunger, G.; Heenen, H.; Govindarajan, N.: Solvation of furfural at metal-water interfaces: Implications for aqueous phase hydrogenation reactions. The Journal of Chemical Physics 159 (8), 084702 (2023)
240.
Journal Article
Liu, X.; McKemmish, L.; Pérez-Ríos, J.: The performance of CCSD(T) for the calculation of dipole moments in diatomics. Physical Chemistry Chemical Physics 25 (5), pp. 4093 - 4104 (2023)
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