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Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b07296
Abstract: We carried out a computational investigation on the mechanism of the bromination reaction of N-phenylacetamide inside CNTs, in water, and in an aprotic solvent (ethylbenzene). A full QM and a QM/MM approach was used. In…
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Keywords:
phenylacetamide inside;
aprotic solvent;
bromination;
investigation ... See more keywords