NMR

../_images/preview43.png

H-NMR spectrum with spin-spin coupling

Keywords: ADF, nuclear magnetic resonance, nuclear spin-spin coupling constants (NSSCCs), NMR chemical shifts, SimIR: comparison of spectra

../_images/preview44.png

Analysis of NMR parameters with Localized Molecular Orbitals

Keywords: ADF, Natural Bonding Orbitals (NBO) or Natural Localized Molecular Orbitals (NLMO), NMR chemical shifts

../_images/preview45.png

NMR shifts with relativistic DFT

Keywords: ADF, NMR chemical shifts, relativistic DFT, ZORA