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Describing Chemical Reactivity with Frontier Molecular Orbitalets
[Image: see text] Locality in physical space is critical in understanding chemical reactivity in the analysis of various phenomena and processes in chemistry, biology, and materials science, as exemplified in the concepts of reactive functional groups and active sites. Frontier molecular orbitals (F...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9241161/ https://www.ncbi.nlm.nih.gov/pubmed/35783161 http://dx.doi.org/10.1021/jacsau.2c00085 |