Cargando…
Twist-Bent Bonds Revisited: Adiabatic Ionization Potentials Demystify Enhanced Reactivity
[Image: see text] Explicit calculations of vertical and adiabatic ionization potentials of cyclopropane derivatives with modern DFT methods have underscored the possibility of unusually large reorganization energies (defined as the difference between vertical and adiabatic ionization potentials) of...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9608396/ https://www.ncbi.nlm.nih.gov/pubmed/36312406 http://dx.doi.org/10.1021/acsomega.2c05074 |