AbstractThe conformation of the energetic plasticizer, nitroglycerin, has been studied by classical potential energy calculations. The calculations reveal three low energy conformations, each of which has a different dipole moment. The three conformations found are consistent with the published NMR data if an equilibrium between the three conformers is assumed. The results have implications for the interaction of nitroglycerin with solvents and propellant bases.
展开▼