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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
4citations -
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks2026 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Leonardo Rafael Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, Ricardo Parra Payano, Martin Stöhr, Gianaurelio Cuniberti, +1 more
9citations -
DNA polymerase actively and sequentially displaces single-stranded DNA-binding proteins2025 Nature Communications article Physics and Astronomy Force Microscopy Techniques and Applications Open access
Longfu Xu, Shikai Jin, Mia Urem, Seung‐Joo Lee, Meindert Hugo Lamers, Xun Chen, +2 more
3citations -
PAH-related Very Small Grains in Photodissociation Regions: Implications from Molecular Simulations2020 EDP Sciences eBooks book-chapter Physics and Astronomy Astrophysics and Star Formation Studies Open access
Mathias Rapacioli, Fernand Spiegelman, Baptiste Joalland, Aude Simon, A. Mirtschink, C. Joblin, +3 more
0citations -
Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access
Abylay Katbashev, Marcel Stahn, Thomas Rose, Vahideh Alizadeh, Marvin Friede, Christoph Plett, +2 more
25citations -
CREST—A program for the exploration of low-energy molecular chemical space2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents
Philipp Pracht, Stefan Grimme, Christoph Bannwarth, Fabian Bohle, Sebastian Ehlert, Gereon Feldmann, +7 more
573citations -
Thermal Desorption of Interstellar Ices:A Review on the Controlling Parameters and Their Implications from Snowlines to Chemical Complexity2022 arXiv (Cornell University) preprint Physics and Astronomy Astrophysics and Star Formation Studies Open access
Marco Minissale, Yuri Aikawa, Edwin A. Bergin, M. Bertin, Wendy A. Brown, Stéphanie M. Cazaux, +12 more
112citations -
IR Spectroscopic Characterization of H 2 Adsorption on Cationic Cu n + ( n = 4–7) Clusters2021 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access
Olga V. Lushchikova, Hossein Tahmasbi, Stijn Reijmer, Rik Platte, Jörg Meyer, Joost M. Bakker
34citations -
Streamers feeding the SVS13-A protobinary system: astrochemistry reveals accretion shocks?2023 Faraday Discussions article Physics and Astronomy Astrophysics and Star Formation Studies Open access
E. Bianchi, Ana López-Sepulcre, Cecilia Ceccarelli, C. Codella, L. Podio, Mathilde Bouvier, +3 more
17citations -
Thermal desorption of interstellar ices. A review on the controlling parameters and their implications fromsnowlines to chemical complexity2022 arXiv (Cornell University) preprint Physics and Astronomy Astrophysics and Star Formation Studies Open access
Marco Minissale, Yuri Aikawa, Edwin A. Bergin, M. Bertin, Wendy A. Brown, Stéphanie M. Cazaux, +12 more
0citations -
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, +4 more
58citations -
Complex organic molecules in low-mass protostars on Solar System scales2021 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access
Pooneh Nazari, M. L. van Gelder, Ewine F. van Dishoeck, Benoît Tabone, Merel L. R. van ’t Hoff, N. F. W. Ligterink, +7 more
72citations -
Understanding the atmospheric properties and chemical composition of the ultra-hot Jupiter HAT-P-7b2020 Astronomy and Astrophysics article Physics and Astronomy Stellar, planetary, and galactic studies Open access
Karan Molaverdikhani, Ch. Helling, Ben W. P. Lew, Ryan J. MacDonald, Dominic Samra, Nicolas Iro, +2 more
24citations