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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 -
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 -
An efficient time-domain implementation of the multichromophoric Förster resonant energy transfer method2023 The Journal of Chemical Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Hoàng Long Nguyễn, Thanh Nhut, Howe‐Siang Tan, Jasper Knoester, Thomas L. C. Jansen
15citations -
A hyper-reduction method using adaptivity to cut the assembly costs of reduced order models2021 Computer Methods in Applied Mechanics and Engineering article Physics and Astronomy Model Reduction and Neural Networks Open access
Jack Hale, Elisa Schenone, Davide Baroli, Lars Beex, Stéphane Bordas
13citations -
MiMiC: Multiscale Modeling in Computational Chemistry2020 Frontiers in Molecular Biosciences article Physics and Astronomy Advanced Chemical Physics Studies Open access
Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P. Bircher, Emiliano Ippoliti, Paolo Carloni, +1 more
10citations -
Computational techniques for the analysis of small signals in high-statistics neutrino oscillation experiments2020 Nuclear Instruments and Methods in Physics Research Section A Accelerators Spectrometers Detectors and Associated Equipment article Physics and Astronomy Neutrino Physics Research Open access
M. G. Aartsen, M. Ackermann, J. Adams, J. A. Aguilar, M. Ahlers, M. Ahrens, +92 more
6citations