Molecular NMR shieldings, J-couplings, and magnetizabilities from numeric atom-centered orbital based density-functional calculations - Laasner, Raul; Mandzhieva, Iuliia; Huhn, William P; Colell, Johannes; Yu, Victor Wen-zhe; Warren, Warren S; Theis, Thomas; Blum, Volker (Electronic structure, 2024)
Keywords: J-couplings; magnetizabilities; NMR shieldings; nuclear magnetic resonance