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Tomographic identification of all molecular orbitals in a wide binding-energy range2025 Physical review. B./Physical review. B article Physics and Astronomy Advanced Chemical Physics Studies Open access
Anja Haags, Dominik Brandstetter, Xiaosheng Yang, Larissa Egger, Hans Kirschner, Alexander Gottwald, +8 more
3citations -
Benchmarking Orbital-Free Density-Potential Functional Theory of Electrified Metal-Solution Interfaces2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
chenkun li, X. Wang, Michael Hermann Eikerling, Jun Zh. Huang
1citations -
Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts2022 ACS Earth and Space Chemistry article Physics and Astronomy Astrophysics and Star Formation Studies Open access
Stephanie ten Brinck, Celine Nieuwland, Richard M. P. Veenboer, H. Linnartz, F. Matthias Bickelhaupt, Célia Fonseca Guerra
17citations -
Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design2020 Journal of Chemical Information and Modeling article Chemistry Crystallography and molecular interactions Open access
Enrico Margiotta, Stephanie C. C. van der Lubbe, Lucas de Azevedo Santos, Gábor Paragi, Stefano Moro, F. Matthias Bickelhaupt, +1 more
58citations
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