Structure, solvation, and bonding in pentacyano(L) ferrate (II) ions (L=aliphatic amine): A density functional study
Quantum chemical calculations using density functional theory have been carried out to investigate the influence of aqueous solvation on the structure and bonding in [Fe(CN) 5 L] 3- with L an aliphatic amine (ammonia, methylamine, hydrazine, and ethylenediamine). Gas phase equilibrium geometries wer...
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| Autores principales: | Gonz ález-Lebrero, M.C., Turjanski, A.G., Olabe, J.A., Estrin, D.A. |
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| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_16102940_v7_n7_p201_GonzalezLebrero |
| Aporte de: |
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