The decomposition pathways of ammonium dinitramide on the basis of ab initio calculations
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DOI: 10.1080/07370652.2017.1405099
Abstract: ABSTRACT Quantum chemistry calculations incorporating solvent effects were used to investigate the decomposition pathways in molten Ammonium dinitramide (ADN). Optimized structures for reactants and products were obtained at the CBS-QB3//ωB97XD/6–311++G(d,p)/SCRF = (solvent = water) level… read more here.
Keywords: ammonium dinitramide; dinitramide basis; pathways ammonium; decomposition pathways ... See more keywords