Article ID Journal Published Year Pages File Type
5394258 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► The influence of S doping on the electronic structure of Fen and FenSm−1 complexes. ► A closed-shell metal-ligand interaction, intermediate between values for pure covalent and pure ionic bonds are evident. ► The energy liberated upon addition of atomic sulfur appears to increase with increasing Fe/S ratio.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A theoretical investigation on geometry and electronic structure of small FemSn nanoclusters (1 ⩽ m, n ⩽ 4)
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