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[image]

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

NMR shifts with relativistic DFT[image]

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

Analysis of NMR parameters with Localized Molecular Orbitals[image]

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