Effect of Ancillary Ligands (A) on Oxidative Addition of CH4 to Rhenium(III) Complexes: A = B, Al, CH, SiH, N, and P Using MP2, CCSD(T), and MCSCF Methods
Author:
Affiliation:
1. Department of Chemistry and Center of Advanced Scientific Computing and Modeling, University of North Texas, 115 Union Circle, #305070, Denton, Texas 76203-5017, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b04732
Reference65 articles.
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3. Luo, Y. R.Comprehensive Handbook of Chemical Bond Energies:CRC Press:Boca Ratón, FL, 2007; pp1688.
4. The mechanism and thermodynamics of alkane and arene carbon-hydrogen bond activation in (C5Me5)Rh(PMe3)(R)H
5. The role of alkane coordination in C H bond cleavage at a Pt(II) center
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1. Steric and Electronic Analyses of Ligand Effects on the Stability of σ-Methane Coordination Complexes: A DFT Study;Organometallics;2022-12-09
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3. Computational study of the impact of ancillary ligands upon a tungsten (IV) imide complex for catalytic methane functionalization;Computational and Theoretical Chemistry;2018-10
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