| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1340193 | Polyhedron | 2006 | 6 Pages |
Abstract
The geometries of tetrahedral and square-planar Cu(bite)q complexes, q = +1 or +2, and of the free bite ligand, bite = tetrabenz[a,e,g,k]-15,18-dithia-9,24-diaza-cyclohexadeca-9,23-diene, have been optimized using the DFT method. The reorganization and strain energy values are evaluated.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Martin Breza, Jozef KožÃÅ¡ek,