Article ID Journal Published Year Pages File Type
10578238 Polyhedron 2011 8 Pages PDF
Abstract
► 6-31G* basis incorrectly produces non-planar metallocycles. ► M formal ox. state differs from its real ox. state based on d-electron population. ► The electron structure changes are related mostly to the bdt ligands. ► These changes are not restricted to sulphur atoms only.
Related Topics
Physical Sciences and Engineering Chemistry Inorganic Chemistry
Authors
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