Physico-chemical properties of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) diazonium ion: a theoretical investigation
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DOI: 10.1039/d1ra04343a
Abstract: NNKDI TCTT molecular orbital energies (a), molecular orbitals 46 (HOMO), 47 (LUMO) and 48 (LUMO+1) as calculated at the B3LYP/6-311G** level of theory. read more here.
Keywords: properties methylnitrosamino; chemical properties; pyridyl butanone; butanone nnk ... See more keywords