Markus Bursch

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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