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Steric effects vs. electron delocalization: a new look into the stability of diastereomers, conformers and constitutional isomers
A quantum chemical investigation of the stability of compounds with identical formulas was carried out on 23 classes of compounds made of C, N, P, O and S atoms as core structures and halogens H, F, Cl, Br and I as substituents. All possible structures were generated and investigated by quantum mech...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9033979/ https://www.ncbi.nlm.nih.gov/pubmed/35479364 http://dx.doi.org/10.1039/d1ra02877d |