Stefan Grimme

Nov 20, 2024 | pubs.acs.org | Christian Holzer |Stefan Grimme |Jan Hamaekers |Rick Oerder

Nov 20, 2024 | dx.doi.org | Christian Holzer |Rick Oerder |Stefan Grimme |Jan Hamaekers

Nov 30, 2023 | pubs.acs.org | Victor V. Syakaev |Stefan Grimme

Divergent Synthesis of 3-(Indol-2-yl)quinoxalin-2-ones and 4-(Benzimidazol-2-yl)-3-methyl(aryl)cinnolines via Polyphosphoric Acid (PPA)-Mediated Intramolecular Rearrangements of 3-(Methyl/aryl(2-phenylhydrazono)methyl)quinoxalin-2-ones | The Journal of Organic Chemistry

Nov 15, 2023 | pubs.rsc.org | Stefan Grimme |Markus Bursch

Machine Learning-Based Correction for Spin-Orbit Coupling Effects in NMR Chemical Shift Calculations As one of the most powerful analytical methods for molecular and solid-state structure elucidation, NMR spectroscopy is an integral part of chemical laboratories associated with a great research interest in its computational simulation.

Nov 14, 2023 | dx.doi.org | Christian Holzer |Igor Gordiy |Stefan Grimme |Markus Bursch

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