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Energy Decomposition Analysis Coupled with Natural Orbitals for Chemical Valence and Nucleus-Independent Chemical Shift Analysis of Bonding, Stability, and Aromaticity of Functionalized Fulvenes: A Bonding Insight
[Image: see text] The Donor base ligand-stabilized cyclopentadienyl-carbene compounds L–C(5)H(4) (L = H(2)C, aAAC; (CO(2)Me)(2)C, Py; aNHC, NHC, PPh(3); SNHC; aAAC = acyclic alkyl(amino) carbene, aNHC = acyclic N-hetero cyclic carbene, NHC = cyclic N-hetero cyclic carbene, SNHC = saturated N-hetero...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8296031/ https://www.ncbi.nlm.nih.gov/pubmed/34308015 http://dx.doi.org/10.1021/acsomega.1c00648 |