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On the hydrogen activation by frustrated Lewis pairs in the solid state: benchmark studies and theoretical insights

Recently, the concept of small molecule activation by frustrated Lewis pairs (FLPs) has been expanded to the solid state showing a variety of interesting reactivities. Therefore, there is a need to establish a computational protocol to investigate such systems theoretically. In the present study, we...

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Detalhes bibliográficos
Publicado no:Philos Trans A Math Phys Eng Sci
Main Authors: Liu, Lei, Brandenburg, Jan Gerit, Grimme, Stefan
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society Publishing 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5540839/
https://ncbi.nlm.nih.gov/pubmed/28739964
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2017.0006
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