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Papers per year
Papers 225
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Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections2024 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies
Maximilian Fleck, Wassja A. Kopp, Narasimhan Viswanathan, Niels Hansen, Joachim Groß, Kai O. Leonhard
5citations -
On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Mantu Kumar Sah, Koushik Naskar, Satrajit Adhikari, Bauke Smits, Jörg Meyer, Mark F. Somers
5citations -
The Grand Canonical General-Purpose Reactivity Indicator: A Conceptual DFT Approach to Predict Molecular Reactivity and Experimental Electrophilicity and Nucleophilicity Scales2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Yoshio Barrera, Tomás Rocha‐Rinza, Florian F. Mulks, Paul W. Ayers, James S. M. Anderson
3citations -
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 -
Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+ U for Mixed d–f Electron Compounds2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Kinga Warda, Eric Macke, Iurii Timrov, Lucio Colombi Ciacchi, Piotr M. Kowalski
3citations -
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 -
Reactive scattering of H2 on Cu(111) at 925 K: Effective Hartree potential vs sudden approximation2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Bauke Smits, Mantu Kumar Sah, Koushik Naskar, Satrajit Adhikari, Jörg Meyer, Mark F. Somers
3citations -
Classical dynamics in a quantum spirit: Refining semi-classical corrections for the scattering of H2 on W(100)2025 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
L. T. Viaud, Mark F. Somers, Cedric Crespos, Laurent Bonnet, P. Larrégaray
3citations
Most active Aachen authors
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Christoph Bannwarth 19,911 citations overall22 papers
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Kai O. Leonhard 4,437 citations overall21 papers
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Richard Dronskowski 34,318 citations overall16 papers
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Geert–Jan Kroes 14,367 citations overall15 papers
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Arne Lüchow 1,732 citations overall13 papers
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Jörg Meyer 2,571 citations overall12 papers
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Nick Gerrits 1,840 citations overall10 papers
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Pit Steinbach 819 citations overall10 papers
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Katharina Doblhoff-Dier 1,478 citations overall9 papers
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Wassja A. Kopp 1,351 citations overall9 papers
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Ryky Nelson 2,115 citations overall8 papers
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Mark F. Somers 1,615 citations overall8 papers
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Thomas Nevolianis 195 citations overall8 papers
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Célia Fonseca Guerra 25,480 citations overall7 papers
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Peter C. Müller 829 citations overall7 papers