SEARCH Articles Figures Tables APPLICATIONS OF NMR SHIELDING CALCULATIONS IN GEOCHEMISTRY AND MINERALOGY Basis Set Effects on NMR Calculations (Benzene) Calculated vs Experimental Chemical Shift Tensors Using Different NMR Methods Calculation of NMR Tensors Application to Small-Molecule Pharmaceutical Solids NMR Chemical Shift Calculation NMR shielding tensor calculations NMR shift calculations NMR spectroscopy calculations Numerical simulation of NMR spectra and density matrix calculation along an algorithm implementation PRESENT STATUS OF NMR CALCULATIONS ON MOLECULES Quantum-Chemical Calculations of NMR Parameters Solid state :H NMR (cont calculated spectra