NMR

• H-NMR spectrum with spin-spin coupling
• NMR shifts with relativistic DFT
• Analysis of NMR parameters with Localized Molecular Orbitals

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

NMR shifts with relativistic DFT

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

Analysis of NMR parameters with Localized Molecular Orbitals

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