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Advanced Chemical Physics Studies Sign in to save
Papers per year
Papers 225
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Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111)2020 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access
Nick Gerrits, Jan Geweke, Egidius W. F. Smeets, Johannes Voss, Alec M. Wodtke, Geert–Jan Kroes
39citations -
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces2022 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Théophile Tchakoua, Nick Gerrits, Egidius W. F. Smeets, Geert–Jan Kroes
39citations -
Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors2021 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Bruno Senjean, Souloke Sen, Michal Repiský, Gerald Knizia, Lucas Visscher
39citations -
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 -
Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides2020 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Ayush Kumar Narsaria, Trevor A. Hamlin, Andreas W. Ehlers, Célia Fonseca Guerra, Koop Lammertsma, F. Matthias Bickelhaupt
34citations -
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 -
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
24citations
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