Computational DFT data related to the redox behaviour of tris(β-diketonato)ruthenium(III) compounds

Computational DFT data related to the redox behaviour of tris(β-diketonato)ruthenium(III) compounds

The data presented in this paper are related to the research article titled “Redox Behaviour of [Ru(β-diketonato)3] Compounds” [1]. This paper presents structural and energy data obtained from the density functional theory (DFT) computations. The energy data is related to experimentally obtained red...

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Bibliographic Details
Main Author:	Jeanet Conradie
Format:	Article
Language:	English
Published:	Elsevier 2020-06-01
Series:	Data in Brief
Subjects:	Ruthenium Acac DFT Relationships HOMO LUMO
Online Access:	http://www.sciencedirect.com/science/article/pii/S2352340920305114

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