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The Intrinsic Barrier Width and Its Role in Chemical Reactivity
[Image: see text] Chemical reactions are in virtually all cases understood and explained on the basis of depicting the molecular potential energy landscape, i.e., the change in atomic positions vs the free-energy change. With such landscapes, the features of the reaction barriers solely determine ch...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10683502/ https://www.ncbi.nlm.nih.gov/pubmed/38033803 http://dx.doi.org/10.1021/acscentsci.3c00926 |