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Concerted two-proton-coupled electron transfer (2PCET) reaction between 1,2-dihydroxynaphthalene and superoxide radical anion

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资源简介:
2PCET mechanisms between 1,2-dihydroxynaphthalene (12H2NQ) and superoxide radical anion (O2•−) in N,N-dimethylformamide. The 2PCET occurs as an intra-complex reaction after the formation of prereactive complex. This reaction was theoretically obtained using the density functional theory (DFT) level with the Becke three-parameter Lee–Yang–Parr functional.
创建时间:
2022-10-12
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