DFT study of Zn2+ and Ni2+ BCP8 bridled porphyrins: Theoretical correlations
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DOI: 10.1016/j.comptc.2016.11.011
Abstract: Abstract DFT investigations on M-BCP8 (M = Zn, Ni) bridled chiral porphyrins were performed. The conformational flexibility depending on the metal ion, the environment, or the electronic redox state was analysed in the framework of Kohn–Sham formalism,… read more here.
Keywords: zn2 ni2; bcp8; bcp8 bridled; study zn2 ... See more keywords