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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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Publicat a:Sci Rep
Autors principals: Skara, Gabriella, De Vleeschouwer, Freija, Geerlings, Paul, De Proft, Frank, Pinter, Balazs
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group UK 2017
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Accés en línia: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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