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Heterolytic Splitting of Molecular Hydrogen by Frustrated and Classical Lewis Pairs: A Unified Reactivity Concept

Using a set of state-of-the-art quantum chemical techniques we scrutinized the characteristically different reactivity of frustrated and classical Lewis pairs towards molecular hydrogen. The mechanisms and reaction profiles computed for the H(2) splitting reaction of various Lewis pairs are in good...

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Detalles Bibliográficos
Autores principales:	Skara, Gabriella, De Vleeschouwer, Freija, Geerlings, Paul, De Proft, Frank, Pinter, Balazs
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5700139/ https://www.ncbi.nlm.nih.gov/pubmed/29167477 http://dx.doi.org/10.1038/s41598-017-16244-1

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