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
Main Authors: Carly C. Carter, Thomas R. Cundari
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Molecules
Subjects:
DFT
Online Access:https://www.mdpi.com/1420-3049/25/12/2794

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