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Spatial distribution of atomic electronic density for elements 1 to 54 as coming from a Hartree-Fock treatment within the minimum atomic parameters (MAP) paradigm.0citations
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Dataset for: "Open source, GPU-Accelerated Hartree–Fock QM/MM Molecular Dynamics through the MiMiC Coupling of QUICK and GROMACS"2026 Zenodo (CERN European Organization for Nuclear Research) dataset Physics and Astronomy Advanced Chemical Physics Studies Open access
Hanna Mohr, Emiliano Ippoliti, Giulia Rossetti, Sandra Diaz-Pier, Christoph Fahlke, Kenneth M. Merz, +2 more
0citations -
The DIRAC code for relativistic molecular calculations2020 LillOA (Université de Lille (University Of Lille)) article Physics and Astronomy Advanced Chemical Physics Studies Open access
Trond Saue, Radovan Bast, André Severo Pereira Gomes, Hans Jørgen Aa. Jensen, Lucas Visscher, I. Agustín Aucar, +20 more
83citations -
Short Versus Long Range Exchange Interactions in Twisted Bilayer Graphene2023 Advanced Physics Research article Materials Science Graphene research and applications Open access
Alejandro Jimeno‐Pozo, Zachary A. H. Goodwin, Pierre A. Pantaleón, Valerio Vitale, Lennart Klebl, Dante Marvin Kennes, +3 more
6citations -
Hybrid-DFT Molecular Dynamics Simulations of Photocatalytic Water Oxidation in a [Ru-bda]–Dye Complex2024 The Journal of Physical Chemistry C article Energy TiO2 Photocatalysis and Solar Cells Open access
Titus de Haas, Dario Calvani, Aegir Zaaruolo, Tjeerd de Jong, Jonas Rutgers, Bas Kreupeling, +2 more
2citations -
Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival2025 Journal of Applied Crystallography article Chemistry Crystal structures of chemical compounds Open access
Florian Meurer, Maximilian Schimpf, Birgit Hischa, Christoph Hennig, Julia Rehbein, Florian Kleemiss, +1 more
2citations -
Tuning correlated states of twisted mono-bilayer graphene with proximity-induced spin-orbit coupling2026 arXiv (Cornell University) preprint Physics and Astronomy Topological Materials and Phenomena Open access
Jeyong Park, Mingdi Luo, Louk Rademaker, Jurgen H. Smet, Mathias S. Scheurer, Laura Classen
0citations -
Tuning correlated states of twisted mono-bilayer graphene with proximity-induced spin-orbit coupling2026 Physical Review Research article Physics and Astronomy Topological Materials and Phenomena Open access
Anonymous, Mingdi Luo, Louk Rademaker, Jurgen H. Smet, Mathias S. Scheurer, Laura Classen
0citations
20 results