Tetrel Bonds between Phenyltrifluorosilane and Dimethyl Sulfoxide: Influence of Basis Sets, Substitution and Competition
Ab initio calculations have been performed for the complexes of DMSO and phenyltrifluorosilane (PTS) and its derivatives with a substituent of NH<sub>3</sub>, OCH<sub>3</sub>, CH<sub>3</sub>, OH, F, CHO, CN, NO<sub>2</sub>, and SO<sub>3</sub>H. It is necessary to use sufficiently flexible basis sets...
Guardat en:
| Autors principals: | , , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2021-11-01
|
| Col·lecció: | Molecules |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/1420-3049/26/23/7231 |
| Etiquetes: |
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|