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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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Bibliographic Details
Published in:Molecules
Main Authors: Carter, Carly C., Cundari, Thomas R.
Format: Artigo
Language:Inglês
Published: MDPI 2020
Subjects:
Online Access: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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