Cargando…
Attraction or repulsion? Theoretical assessment of bulky alkyl groups by employing dispersion-corrected DFT
London dispersion, which is the most widespread attractive part of van der Waals force, can be enhanced by introducing a bulky alkyl group to the interacting molecules. However, this strategy will also result in increased steric repulsion. Our theoretical investigation of the attraction–repulsion ba...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9077402/ https://www.ncbi.nlm.nih.gov/pubmed/35541438 http://dx.doi.org/10.1039/c7ra11547d |