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LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory2020 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Ryky Nelson, Christina Ertural, Janine George, Volker L. Deringer, Geoffroy Hautier, Richard Dronskowski
1,585citations -
Dynamic bonding influenced by the proximity of adatoms to one atom high step edges2022 Physical review. B./Physical review. B article Physics and Astronomy Surface and Thin Film Phenomena Open access
W. Dednam, Sumit Tewari, Enrico B. Lombardi, Juan Jose Palacios, Jan M. van Ruitenbeek, Carlos Sabater
1citations -
Bonding Signatures of Incipient Electron Localization in Topological Chiral Semimetals Near the Metal-Insulator Transition2026 arXiv (Cornell University) preprint Physics and Astronomy Topological Materials and Phenomena Open access
Felix Hoff, Jonathan Frank, Mohit Raghuwanshi, Jan Köttgen, Vicky Hasse, Tim Bartsch, +8 more
0citations -
Experimental and Theoretical Force Constants as Meaningful Indicator for Interatomic Bonding Characteristics and the Specific Case of Elemental Antimony2025 Advanced Materials article Physics and Astronomy X-ray Spectroscopy and Fluorescence Analysis Open access
Franziska Zahn, Jan Hempelmann, Christopher Benndorf, Hans H. Falk, Konrad Ritter, S. Levcenko, +4 more
4citations -
Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length2021 Chemistry - A European Journal article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 1 patent
Pascal Vermeeren, Willem‐Jan van Zeist, Trevor A. Hamlin, Célia Fonseca Guerra, F. Matthias Bickelhaupt
34citations -
Carbon Atom Reactivity with Amorphous Solid Water: H2O-Catalyzed Formation of H2CO2021 The Journal of Physical Chemistry Letters article Physics and Astronomy Astrophysics and Star Formation Studies Open access
Germán Molpeceres, Johannes Kästner, G. Fedoseev, D. Qasim, Richard Schömig, H. Linnartz, +1 more
52citations -
Adsorption of Polycyclic Aromatic Hydrocarbons and C60 onto Forsterite: C–H Bond Activation by the Schottky Vacancy2022 ACS Earth and Space Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Dario Campisi, Thanja Lamberts, Nelson Yaw Dzade, Rocco Martinazzo, I. L. ten Kate, Alexander G. G. M. Tielens
11citations -
On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide2023 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Linda S. Reitz, Peter C. Müller, David Schnieders, Richard Dronskowski, Woon Ih Choi, Won‐Joon Son, +2 more
3citations -
Solid‐state quantum chemistry with ΘΦ ( ThetaPhi ): Spin‐liquids , superconductors, and magnetic superstructures made computationally available2021 Journal of Computational Chemistry article Physics and Astronomy Physics of Superconductivity and Magnetism
Andrei L. Tchougréeff, Evgeny A. Plekhanov, Richard Dronskowski
5citations