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