NMR

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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

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NMR shifts with relativistic DFT

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

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Analysis of NMR parameters with Localized Molecular Orbitals

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