Influence of Solvent Effects on the Basicity of Pentaammine(pyrazine)ruthenium (H) and Pentacyano(pyrazine)ruthenate(II) Ions: A Density Functional Study

Quantum chemical calculations using density functional theory have been carried out to investigate the basicity of pentaammine(pyrazine)ruthenium(II) and pentacyano(pyrazine)ruthenate(II) ions. Gas phase equilibrium geometries were fully optimized at the local density approximation (LDA) level. Sing...

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Detalles Bibliográficos
Autores principales:	Hamra, O.Y., Slep, L.D., Olabe, J.A., Estrin, D.A.
Formato:	JOUR
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00201669_v37_n8_p2033_Hamra
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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