Coupling constants 4 Density functional theory 4 J coupling 4 NMR 4 Nuclear magnetic resonance 4 Spin-spin coupling constants 4 Spin-spin couplings 4 article 4 nuclear magnetic resonance 4 Amino acids 2 Basis sets 2 Bond contributions 2 CLOPPA method 2 Chemical shifts 2 Chiral discrimination 2 Correlation effect 2 Correlation studies 2 Crystal structure 2 Density functionals 2 Electronic factors 2 External electric field 2 Fermi contact term 2 High resolution NMR 2 Hydrogen Peroxide 2 Hydrogen peroxide 2 Hyperconjugative interactions 2 Indirect spin-spin couplings 2 J couplings 2 Karplus rule 2 Localized orbitals and NMR parameters 2