Chemical shielding calculations article 6 nuclear magnetic resonance spectroscopy 6 calculation 4 crystal structure 4 molecular interaction 4 solid state 4 19 F NMR 2 2 fluorobenzoic acid 2 4 fluorobenzoic acid 2 Algorithms 2 Carbon Isotopes 2 Charge point models 2 Crystalline intermolecular effects 2 Databases, Factual 2 EIM 2 Electrochemistry 2 Hydrogen Bonding 2 Magnetic Resonance Spectroscopy 2 Models, Chemical 2 NMR 2 NMR solid state effects 2 Nitrogen Isotopes 2 Normal Distribution 2 Point charge methods 2 SCREEP 2 Solid-state effects 2 accuracy 2 algorithm 2 analytic method 2