Electronic delocalization in coordination polymers based on bimetallic carboxylates

Computational methods (DFT at the B3LYP, PBE0 and m06 levels, MO fragments decomposition, and the broken symmetry approach) have been used to evaluate the influence of the bridging ligand (BL) on the extent of electron delocalization in coordination polymers based on diruthenium tetracarboxylates. T...

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Detalles Bibliográficos
Autores principales:	Castro, M.A., Roitberg, A.E., Cukiernik, F.D.
Formato:	JOUR
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_15499618_v9_n6_p2609_Castro
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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