Computational study of the unimolecular and bimolecular decomposition mechanisms of propylamine
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DOI: 10.1038/s41598-020-68723-7
Abstract: A detailed computational study of the dehydrogenation reaction of trans-propylamine (trans-PA) in the gas phase has been performed using density functional method (DFT) and CBS-QB3 calculations. Different mechanistic pathways were studied for the reaction of… read more here.
Keywords: unimolecular bimolecular; computational study; dehydrogenation reaction; reaction ... See more keywords