Ammonia 1 Ammonia molecules 1 Chemical shielding 1 Chemical shift 1 Computer simulation 1 Density functional theory 1 Density functional theory calculations 1 Deuterated liquids 1 Deuterium 1 Electronic polarization 1 Experimental values 1 Geometry relaxation 1 Hydrogen bonded molecules 1 Iterative procedures 1 Lennard-Jones potential 1 Liquid ammonia 1 Liquid chemicals 1 Liquids 1 Molecules 1 Monte Carlo Simulation 1 Monte Carlo methods 1 Nuclear magnetic resonance 1 Pure solvents 1 QM/MM method 1 Shielding 1 Solvent molecules 1 Spin couplings 1 Spin dynamics 1 Spin-spin coupling constants 1 Systematic investigations 1