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Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.138142
Abstract: Abstract The chemical and electronic structure of 3-hydroxyflavone, 5-hydroxyflavone and their metal complexes (Al3+, Ca2+, Cu+/2+, Mg2+, Ni2+, Sc3+ and Zn2+) were studied using Density Functional Theory. The influence of the solvent was estimated by…
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Keywords:
quantum chemical;
chemical;
chelates hydroxyflavone;
hydroxyflavone quantum ... See more keywords