An atoms‐in‐molecules characterization of the nature of the OO bond in peroxides and nitroxide dimers
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DOI: 10.1002/jcc.27082
Abstract: The quantum theory of atoms‐in‐molecules (QTAIM) method is used to examine the OO bond in peroxides (RO‐OR) and nitroxide dimers (R2NO‐ONR2), including Fremy's salt. The electron density (ρ), electron kinetic energy density [K(ρ)], and Laplacian… read more here.
Keywords: nitroxide dimers; nature bond; atoms molecules; peroxides nitroxide ... See more keywords