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Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00485
Abstract: Iron-sulfur clusters play important roles in biology as parts of electron-transfer chains and catalytic cofactors. Here, we report a detailed computational analysis of a structural model of the simplest natural iron-sulfur cluster of rubredoxin and…
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Keywords:
bonding properties;
sch3 complexes;
bond;
quantitative account ... See more keywords