Dioxygen Activation by Copper-Bleomycin: Theoretical Considerations

Croatica Chemica Acta

Papp, Anita¹  Silaghi-Dumitrescu, Radu¹  Surducan, Mihai¹ 

[1] Department of Chemistry, “Babes,-Bolyai�? University, 11 Arany Janos str, Cluj-Napoca, RO-400028, Romania

关键词: bleomycin;    DFT;    copper-peroxo;    copper-hydroperoxo;    dioxygen activation;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

Density functional theory (DFT) calculations are employed to calculate probable reaction intermediates in dioxygen activation by bleomycin-ligated copper �? Cu(I)-dioxygen, Cu(I)-superoxo and Cu(II)-hydroperoxo. The electronic...

【 授权许可】

Unknown