Significant effect of spin flip on the oxygen atom transfer reaction from (oxo)manganese(v) corroles to thioanisole: insights from density functional calculations
Chun Zhu; Jinxia Liang; Binju Wang; Jun Zhu; Zexing Cao · 2012 · Physical Chemistry Chemical Physics
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
The study found no significant effect — useful as a negative control or null benchmark for your own design.
Abstract (excerpt)
The electronic and structural features of (oxo)manganese(V) corroles and their catalyzed oxygen atom transfers to thioanisole in different spin states have been investigated by the B3LYP functional calculations. Calculations show that…
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Metadata source: OpenAlex · DOI 10.1039/c2cp41647f