MCSCF-MRMP2 and DFT Exploratory Study on the Stability of Possible Intermediates in the Ru(H2O)6 2+ + H2O2 Reaction: Importance of the Multiconfigurational Character in the Description of the Ru=O Moiety

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Bibliographic Details
Main Author:	Ana Elizabeth Torres
Format:	Artículo científico
Language:	en
Published:	Sociedad Química de México 2012
Subjects:	Multidisciplinaria (Ciencias Naturales y Exactas) DFT MRMP2 RuIVO Electron Correlation Ruthenium oxo Compounds
Online Access:	Acceder al recurso
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