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Journal Article (8543)
2023
Journal Article
Langer, Marcel Florin, Florian Knoop, Christian Carbogno, Matthias Scheffler and Matthias Rupp: Heat flux for semilocal machine-learning potentials.
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, , Annette Trunschke, and : Stepwise conversion of methane to methanol on Cu and Fe/zeolites prepared in solid state: the effect of zeolite type and activation temperature.
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Lee, Si Woo, Mauricio Lopez-Luna, Nikolay Berdunov, Weiming Wan, Sebastian Kunze, Shamil K. Shaikhutdinov and Beatriz Roldan Cuenya: Unraveling surface structures of gallium promoted transition metal catalysts in CO2 hydrogenation.
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Lee, Si Woo, , , JianQiang Zhong, , Shamil K. Shaikhutdinov and Beatriz Roldan Cuenya: Interaction of Gallium with a Copper Surface: Surface Alloying and Formation of Ordered Structures.
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Lee, Yonghyuk, Jakob Timmermann, Chiara Panosetti, Christoph Scheurer and Karsten Reuter: 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.
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, , Tobias Kampfrath, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , and : The 2023 Terahertz Science and Technology Roadmap.
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Leitherer, Andreas, , and Luca M. Ghiringhelli: Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy.
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, , , , , , , , , , , Florian Trinter, , , and : Mapping the electronic transitions of protonation sites in peptides using soft X-ray action spectroscopy.
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Lettow, Maike, Kim Greis, Eike Mucha, , , , Christian Manz, Waldemar Hoffmann, Gerard Meijer, , Gert von Helden, and Kevin Pagel: Decoding the Fucose Migration Product during Mass-Spectrometric Analysis of Blood Group Epitopes.
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Li, Zi-Yu, Francine Horn, , , Wieland Schöllkopf, , and : Dinitrogen Activation in the Gas Phase: Spectroscopic Characterization of C–N Coupling in the V3C+ + N2 Reaction.
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Lin, Chenfang, Faruk Krecinic, Hiroko Yoshino, Adnan Hammud, , Martin Wolf, Melanie Müller and Takashi Kumagai: Continuous-Wave Multiphoton-Induced Electron Transfer in Tunnel Junctions Driven by Intense Plasmonic Fields.
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, , , , , , , Carsten Baldauf, , , and : 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.
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, , Alaa Akkoush, and Mariana Rossi: First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images.
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, Janis Timoshenko, Lichen Bai, , Martina Rüscher, , Beatriz Roldan Cuenya and : Low-Coordination Rhodium Catalysts for an Efficient Electrochemical Nitrate Reduction to Ammonia.
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, Alexander Klyushin, , , , and Xing Huang: Carbon Encapsulation of Supported Metallic Iridium Nanoparticles: An in Situ Transmission Electron Microscopy Study and Implications for Hydrogen Evolution Reaction.
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Liu, Shuyi, , , , Martin Wolf and Takashi Kumagai: Inelastic Light Scattering in the Vicinity of a Single-Atom Quantum Point Contact in a Plasmonic Picocavity.
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, , , , , , Hendrik Heenen and : Solvation of furfural at metal-water interfaces: Implications for aqueous phase hydrogenation reactions.
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Liu, Xiangyue, and : The performance of CCSD(T) for the calculation of dipole moments in diatomics.
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Liu, Xiangyue, Weiqi Wang and : Molecular dynamics-driven global potential energy surfaces: Application to the AlF dimer.
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, , , , , , , , , Sebastian Kokott, Christian Carbogno, , , Matthias Scheffler, , , , and : Electronic Impurity Doping of a 2D Hybrid Lead Iodide Perovskite by Bi and Sn.