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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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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Skara, Gabriella, De Vleeschouwer, Freija, Geerlings, Paul, De Proft, Frank, Pinter, Balazs
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5700139/
https://ncbi.nlm.nih.gov/pubmed/29167477
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-16244-1
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