most citedThe Effect of Geometry, Spin and Orbital Optimization in Achieving Accurate, Fully-Correlated Results for Iron-Sulfur Cubanes

23 citations · 23 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2021★ 23 cited

The Effect of Geometry, Spin and Orbital Optimization in Achieving Accurate, Fully-Correlated Results for Iron-Sulfur Cubanes

Carlos Mejuto-Zaera, Demeter Tzeli, David Williams-Young +6

Iron-sulfur clusters comprise an important functional motif of the catalytic centers of biological systems, capable of enabling important chemical transformations at ambient condit…