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Journal Article (8540)

2025
Journal Article
Harper, Angela F., Tabea Huss, Simone S. Köcher and Christoph Scheurer: Tracking Li atoms in real-time with ultra-fast NMR simulations.
Journal Article
Holburg, Jonathan, Stephan Figul, Ales Charvat, Hendrik Bluhm, Bernd Abel, Gerd Marowsky, Dong-Du Mai and Klaus Mann: Soft X-Ray Absorption Spectroscopy With a Flat Liquid Jet in Vacuum Using a Table-Top Laser-Induced Plasma Source.
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Horlebein, Jan, Eunjin Moon, Gergő Péter Szekeres, Gert von Helden, Nicklas Österlund and Kevin Pagel: Gas-phase purification enables structural studies of amyloid intermediates.
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Hörmann, Nicolas: Grand canonical view on electrochemical energetics at applied potential in a nutshell.
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Hourahine, B., M. Berdakin, J.A. Bich, F.P. Bonafé, C. Camacho, Q. Cui, M.Y. Deshaye, G. Mirón Díaz, S. Ehlert, M. Elstner, T. Frauenheim, N. Goldman, R.A. León González, T. van der Heide, S. Irle, T. Kowalczyk, T. Kubař, I.S. Lee, C.R. Lien-Medrano, A. Maryewski, T. Melson, S.K. Min, T. Niehaus, A.M.N. Niklasson, A. Pecchia, Karsten Reuter, C.G. Sánchez, Christoph Scheurer, M.A. Sentef, P.V. Stishenko, V.Q. Vuong and B. Aradi: Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations.
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Hülser, Tobias, Bjarne Kreitz, C.Franklin Goldsmith and Sebastian Matera: Multilevel on-the-fly sparse grids for coupling coarse-grained and high fidelity models in heterogeneous catalysis.
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Hund, Sophie, Nikita Bubnov, Tobias Lüdtke, Liseth Johana Duarte Correa, Jonathan Pöttker-Menke, Sören Selve, Stefan Wurl, Thomas Lunkenbein, Bastian Mei and Martin Lerch: Synthesis and crystal structures of new phases in the system Hf–Ta–O–N.
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Hund, Sophie, Maximilian C. Jancke, Simon Ristig, Liseth Johana Duarte Correa, Thomas Lunkenbein, Holger Ruland, Eva M. Heppke and Martin Lerch: Synthesis, Characterization, and Catalytic Testing of η-Carbide-Type Phases in the System Fe-Co-Mo-N.
Journal Article
Iriawan, Haldrian, Graham Leverick, Baris Alkan, Daniel Delgado Muñoz, John Eom, Hongbin Xu, Sunmoon Yu, Livia Giordano, Annette Trunschke, Ifan E.L. Stephens and Yang Shao-Horn: Assessing the Activity of Transition Metal Oxides for the Electrochemical N2 Oxidation to Nitrate.
Journal Article
Jahnke, Till, Sebastian Mai, Surjendu Bhattacharyya, Keyu Chen, Rebecca Boll, Maria Elena Castellani, Simon Dold, Ulrike Frühling, Alice E. Green, Markus Ilchen, Rebecca Ingle, Gregor Kastirke, Huynh Van Sa Lam, Fabiano Lever, Dennis Mayer, Tommaso Mazza, Terence Mullins, Yevheniy Ovcharenko, Björn Senfftleben, Florian Trinter, Noor Atia Tul, Sergey Usenko, Anbu Selvam Venkatachalam, Artem Rudenko, Daniel Rolles, Michael Meyer, Heide Ibrahim and Markus Gühr: Direct observation of ultrafast symmetry reduction during internal conversion of 2-thiouracil using Coulomb explosion imaging.
Journal Article
Jaugstetter, Maximilian, Xiao Qi, Emory M. Chan, Miquel Salmeron, Kevin R. Wilson, Slavomír Nemšák and Hendrik Bluhm: Direct Observation of Morphological and Chemical Changes during the Oxidation of Model Inorganic Ligand-Capped Particles.
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Jin, Limei, Franz Philipp Bereck, Josef Granwehr and Christoph Scheurer: Extending Equivalent Circuit Models for State of Charge and Lifetime Estimation.
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John, Allison St., Shuting Xiang, Hannah Flayhart, Eduardo Ortega, Qian Qian, N.Aaron Deskins, Beatriz Roldan Cuenya, Jonathan Rochford, Anatoly I. Frenkel and Gonghu Li: Enhanced Solar CO2 Reduction Using Single Cobalt Sites on Carbon Nitride Modified with a Dianhydride.
Journal Article
John, Ben, Sarabjeet Kaur, Martin Wolf, Martin Thämer and Alexander P. Fellows: Using phase-resolved vibrational sum-frequency imaging to probe the impact of head-group functionality on hierarchical domain structure in lipid membranes.
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Kang, Kisung, Thomas Purcell, Christian Carbogno and Matthias Scheffler: Accelerating the training and improving the reliability of machine-learned interatomic potentials for strongly anharmonic materials through active learning.
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Kaur, Harmanjot, Stephan Thürmer, Shirin Gholami, Bruno Credidio, Florian Trinter, Debora Vasconcelos, Ricardo Marinho, Joel Pinheiro, Hendrik Bluhm, Arnaldo Naves de Brito, Gunnar Öhrwall, Bernd Winter and Olle Björneholm: Boosting aerosol surface effects: strongly enhanced cooperative surface propensity of atmospherically relevant organic molecular ions in aqueous solution.
Journal Article
Kaur, Hunarpreet, Weiqi Wang, Jesús Pérez-Ríos, Bruno Martínez-Haya, Britta Redlich and Sandra Brünken: Gas-Phase Vibrational Spectra of [C2H5O2]+ Isomers: Protonated Glycolaldehyde, Acetic Acid, and Methyl Formate.
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Keller, Elisabeth, Volker Blum, Karsten Reuter and Johannes Margraf: Exploring atom-pairwise and many-body dispersion corrections for the BEEF-vdW functional.
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Khare, Rachit, Roland Weindl, Sungmin Kim, Libor Kovarik, Andreas Jentys, Karsten Reuter and Johannes A. Lercher: Hydrogen Activation on Zeolite Stabilized Ni-Mo Sulfide Clusters.
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Kokott, Sebastian, Volker Blum and Matthias Scheffler: Efficient computation of the long-range exact exchange using an extended screening function.