NMR

• H-NMR spectrum with spin-spin coupling
• 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

Analysis of NMR parameters with Localized Molecular Orbitals

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