Singlet open-shell diradical nature and redox properties of conjugated carbonyls: a quantum chemical study
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DOI: 10.1007/s00214-017-2061-7
Abstract: In the present work, a set of 90 conjugated carbonyls based on cyclic hydrocarbons with different ring sizes are studied by means of theoretical methods of quantum chemistry in order to analyze their singlet open-shell… read more here.
Keywords: chemistry; diradical character; singlet open; open shell ... See more keywords