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Papers per year
Papers 225
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Five Birds with One Stone: Photoelectron Photoion Coincidence Unveils Rich Phthalide Pyrolysis Chemistry2021 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access
Jordy Bouwman, Helgi Rafn Hróðmarsson, G. Barney Ellison, András Bödi, Patrick Hemberger
22citations -
Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN‐xTB and density functional theory2021 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Jan Paul Menzel, M. Kloppenburg, Jelena Belić, Huub J. M. de Groot, Lucas Visscher, Francesco Buda
21citations -
Nonrelativistic protocol for calculating the 1J(195Pt-15N) coupling constant in Pt(II)-complexes using all-electron Gaussian basis-set2020 Chemical Physics Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access
Janaina Oliveira Carvalho, Diego Fernando da Silva Paschoal, Célia Fonseca Guerra, Hélio F. Dos Santos
17citations -
Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals2024 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access
Nick Gerrits, Théophile Tchakoua, Mark F. Somers, H. F. Busnengo, Jörg Meyer, Geert–Jan Kroes, +1 more
14citations -
Unimolecular decomposition of methyl ketene and its dimer in the gas phase: theory and experiment2020 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies
Imene Derbali, Helgi Rafn Hróðmarsson, Martin Schwell, Y. Bénilan, Lionel Poisson, M. Hochlaf, +3 more
14citations -
Geometrical benchmarking and analysis of redox potentials of copper(I/ II ) guanidine‐quinoline complexes: Comparison of semi‐empirical tight‐binding and DFT methods and the challenge of describing the entatic state (part III )2022 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Lukas Raßpe-Lange, Alexander Hoffmann, Christoph Gertig, Joshua Heck, Kai O. Leonhard, Sonja Herres‐Pawlis
13citations -
Interaction of Aromatic Molecules with Forsterite: Accuracy of the Periodic DFT-D4 Method2021 The Journal of Physical Chemistry A 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
13citations -
MiMiC: A high-performance framework for multiscale molecular dynamics simulations2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė, Sophia K. Johnson, David Carrasco‐Busturia, Bharath Raghavan, +10 more
12citations -
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access
Bharath Raghavan, Florian Karl Schackert, Andrea Levy, Sophia K. Johnson, Emiliano Ippoliti, Davide Mandelli, +3 more
11citations
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