Enabling Molecular-Level Computational Description of Redox and Proton-Coupled Electron Transfer Reactions of Samarium Diiodide
Author:
Affiliation:
1. Department of Chemistry, University of Bergen, Allégaten 41, N-5007 Bergen, Norway
Funder
Universitetet i Bergen
Norges Forskningsr?d
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c00418
Reference78 articles.
1. Cross-Coupling Reactions Using Samarium(II) Iodide
2. Ammonia Solvation vs Aqueous Solvation of Samarium Diiodide. A Theoretical and Experimental Approach to Understanding Bond Activation Upon Coordination to Sm(II)
3. Molybdenum-catalysed ammonia production with samarium diiodide and alcohols or water
4. The role of H2O in the electron transfer-activation of substrates using SmI2: insights from DFT
5. Aqueous Solvation of SmI2: A Born–Oppenheimer Molecular Dynamics Density Functional Theory Cluster Approach
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