Journal Article (8213)
221.
Journal Article
159 (2), 024129 (2023)
A fuzzy classification framework to identify equivalent atoms in complex materials and molecules. The Journal of Chemical Physics 222.
Journal Article
159 (17), 174105 (2023)
Stress and heat flux via automatic differentiation. The Journal of Chemical Physics 223.
Journal Article
108 (10), L100302 (2023)
Heat flux for semilocal machine-learning potentials. Physical Review B 224.
Journal Article
98 (11), pp. 2716 - 2725 (2023)
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 225.
Journal Article
14, 4649 (2023)
Unraveling surface structures of gallium promoted transition metal catalysts in CO2 hydrogenation. Nature Communications 226.
Journal Article
127 (42), pp. 20700 - 20709 (2023)
Interaction of Gallium with a Copper Surface: Surface Alloying and Formation of Ordered Structures. The Journal of Physical Chemistry C 227.
Journal Article
127 (35), pp. 17599 - 17608 (2023)
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 228.
Journal Article
56 (22), 223001 (2023)
The 2023 Terahertz Science and Technology Roadmap. Journal of Physics D: Applied Physics 229.
Journal Article
9, 179 (2023)
Automatic identification of crystal structures and interfaces via artificial-intelligence-based electron microscopy. npj Computational Materials 230.
Journal Article
25 (37), pp. 25603 - 25618 (2023)
Mapping the electronic transitions of protonation sites in peptides using soft X-ray action spectroscopy. Physical Chemistry Chemical Physics 231.
Journal Article
62 (24), e202302883 (2023)
Decoding the Fucose Migration Product during Mass-Spectrometric Analysis of Blood Group Epitopes. Angewandte Chemie International Edition 232.
Journal Article
29 (14), e202203384 (2023)
Dinitrogen Activation in the Gas Phase: Spectroscopic Characterization of C–N Coupling in the V3C+ + N2 Reaction. Chemistry – A European Journal 233.
Journal Article
10 (10), pp. 3637 - 3646 (2023)
Continuous-Wave Multiphoton-Induced Electron Transfer in Tunnel Junctions Driven by Intense Plasmonic Fields. ACS Photonics 234.
Journal Article
62 (36), e202305326 (2023)
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 235.
Journal Article
14 (30), pp. 6850 - 6859 (2023)
First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images. The Journal of Physical Chemistry Letters 236.
Journal Article
13 (2), pp. 1513 - 1521 (2023)
Low-Coordination Rhodium Catalysts for an Efficient Electrochemical Nitrate Reduction to Ammonia. ACS Catalysis 237.
Journal Article
17 (23), pp. 24395 - 24403 (2023)
Carbon Encapsulation of Supported Metallic Iridium Nanoparticles: An in Situ Transmission Electron Microscopy Study and Implications for Hydrogen Evolution Reaction. ACS Nano 238.
Journal Article
17 (11), pp. 10172 - 10180 (2023)
Inelastic Light Scattering in the Vicinity of a Single-Atom Quantum Point Contact in a Plasmonic Picocavity. ACS Nano 239.
Journal Article
159 (8), 084702 (2023)
Solvation of furfural at metal-water interfaces: Implications for aqueous phase hydrogenation reactions. The Journal of Chemical Physics 240.
Journal Article
25 (5), pp. 4093 - 4104 (2023)
The performance of CCSD(T) for the calculation of dipole moments in diatomics. Physical Chemistry Chemical Physics