[ASAP] Computation of CCSD(T)-Quality NMR Chemical Shifts via Δ‑Machine Learning from DFT

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.3c00165

Source: Journal of Chemical Theory and Computation - June 1, 2023 Category: Chemistry Authors: Julius B. Kleine Bu ̈ning and Stefan Grimme Source Type: research