Theoretical and experimental studies of diruthenium tetracarboxylates structure, spectroscopy, and electrochemistry
Quantum mechanical calculations at the density functional theory (DFT) level have been performed on diruthenium tetracarboxylates of different levels of molecular complexity: from unsolvated monomers to oligomers. The agreement between the calculated and experimental molecular structures and vibrati...
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| Autores principales: | Castro, M.A., Roitberg, A.E., Cukiernik, F.D. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00201669_v47_n11_p4682_Castro |
| Aporte de: |
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