A DFT Survey of the Effects of d‐Electron Count and Metal Identity on the Activation and Functionalization of C−H Bonds for Mid to Late Transition Metals
Author:
Affiliation:
1. University of North Texas, Department of Chemistry Center for Advanced Scientific Computing and Modeling (CASCaM) 1155 Union Circle #305070 Denton, Texas 76203–5017 United States
Funder
U.S. Department of Energy
National Science Foundation
Publisher
Wiley
Subject
General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/ijch.201700066
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5. Computational Study of Methane Activation by TpRe(CO)2 and CpRe(CO)2 with a Stereoelectronic Comparison of Cyclopentadienyl and Scorpionate Ligands
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