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Angewandte Chemie (International Ed. in English)|April 18, 2015
A practicable real-space measure and visualization of static electron-correlation effectsStefan Grimme, Andreas HansenJournal of Computational Chemistry|November 20, 2023
Conformational energies of biomolecules in solution: Extending the MPCONF196 benchmark with explicit water moleculesChristoph Plett, Stefan Grimme, Andreas HansenThe Journal of Chemical Physics|October 25, 2023
An atom-in-molecule adaptive polarized valence single-ζ atomic orbital basis for electronic structure calculationsMarcel Müller, Andreas Hansen, Stefan GrimmePhysical Chemistry Chemical Physics : PCCP|December 21, 2013
Excited states using the simplified Tamm-Dancoff-Approach for range-separated hybrid density functionals: development and applicationTobias Risthaus, Andreas Hansen, Stefan GrimmeThe Journal of Chemical Physics|January 7, 2023
ωB97X-3c: A composite range-separated hybrid DFT method with a molecule-optimized polarized valence double-ζ basis setMarcel Müller, Andreas Hansen, Stefan GrimmeThe Journal of Physical Chemistry. A|May 26, 2022
Conformational Energy Benchmark for Longer <i>n</i>-Alkane ChainsSebastian Ehlert, Stefan Grimme, Andreas HansenJournal of Chemical Theory and Computation|September 11, 2024
Toward Reliable Conformational Energies of Amino Acids and Dipeptides─The DipCONFS Benchmark and DipCONL DatasetsChristoph Plett, Stefan Grimme, Andreas HansenAccounts of Chemical Research|December 15, 2023
Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl CompoundsMarkus Bursch, Stefan Grimme, Andreas HansenPhysical Chemistry Chemical Physics : PCCP|November 24, 2022
Reliable prediction of association (free) energies of supramolecular complexes with heavy main group elements - the HS13L benchmark setJohannes Gorges, Stefan Grimme, Andreas HansenInorganic Chemistry|October 6, 2017
Fast and Reasonable Geometry Optimization of Lanthanoid Complexes with an Extended Tight Binding Quantum Chemical MethodMarkus Bursch, Andreas Hansen, Stefan GrimmePageof 55