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Computational Study of Methane C–H Activation by Main Group and Mixed Main Group–Transition Metal Complexes

In the present density functional theory (DFT) research, nine different molecules, each with different combinations of A (triel) and E (divalent metal) elements, were reacted to effect methane C–H activation. The compounds modeled herein incorporated the triels A = B, Al, or Ga and the divalent meta...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Carter, Carly C., Cundari, Thomas R.
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7355694/
https://ncbi.nlm.nih.gov/pubmed/32560523
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25122794
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