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Advanced Chemical Physics Studies Sign in to save
Papers per year
Papers 225
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Variational functional in local density approximation for coulombic electrolyte correlations in the electric double layer2025 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Nils Bruch, Tobias Binninger, Jun Zh. Huang, Michael Hermann Eikerling
8citations -
Fundamentals of energy storage from first principles simulations: Challenges and opportunities2023 Frontiers in Energy Research article Physics and Astronomy Advanced Chemical Physics Studies Open access
Piotr M. Kowalski, Thomas Bornhake, Oskar Cheong, Noah Dohrmann, André Koch-Liston, Shannon Kimberly Potts, +3 more
8citations -
Benchmarking quantum chemical methods for accurate gas-phase structure predictions of carbonyl compounds: the case of ethyl butyrate2023 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Lilian W. Sutikdja, Ha Vinh Lam Nguyen, Dragan Jelisavac, Wolfgang Stahl, Halima Mouhib
8citations -
Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators2020 IMA Journal of Numerical Analysis article Physics and Astronomy Advanced Chemical Physics Studies Open access
Éric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralı́k
7citations -
Fast All-Electron Hybrid Functionals and Their Application to Rare-Earth Iron Garnets2022 Frontiers in Materials article Physics and Astronomy Advanced Chemical Physics Studies Open access
Matthias Redies, Gregor Michalicek, Juba Bouaziz, Christian Terboven, Matthias Müller, Stefan Blügel, +1 more
7citations -
Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Joy Dutta, Koushik Naskar, Satrajit Adhikari, Jörg Meyer, Mark F. Somers
7citations -
Dipolar repulsion in α-halocarbonyl compounds revisited2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Daniela Rodrigues Silva, Lucas de Azevedo Santos, Trevor A. Hamlin, F. Matthias Bickelhaupt, Matheus P. Freitas, Célia Fonseca Guerra
7citations -
Transferable Potential Function for Flexible H2O Molecules Based on the Single-Center Multipole Expansion2022 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Elvar Ö. Jónsson, Soroush Rasti, Marta Gałyńska, Jörg Meyer, Hannes Jónsson
7citations -
Numerical stability and efficiency of response property calculations in density functional theory2023 Letters in Mathematical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Éric Cancès, Michael F. Herbst, Gaspard Kemlin, Antoine Levitt, Benjamin Stamm
6citations -
Simulating Highly Activated Sticking of H2 on Al(110): Quantum versus Quasi-Classical Dynamics2023 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access
Théophile Tchakoua, Nick Gerrits, Mark F. Somers, Katharina Doblhoff-Dier, H. F. Busnengo, Geert–Jan Kroes
6citations -
Assessing density functionals for describing methane dissociative chemisorption on Pt(110)-(2×1) surface2021 Chinese Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Fenfei Wei, Egidius W. F. Smeets, Johannes Voss, Geert–Jan Kroes, Sen Lin, Hua Guo
6citations
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