Electron Lone-Pairs Stereochemistry and Drastic van der Waals and Pressure Effects in AsF<sub>3</sub> from First Principles
AsF<sub>3</sub>E as a representative of a molecular crystal has been chosen to find the precise localization of the lone pair (LP) E centroid 4s<sup>2</sup> of As<sup>3+</sup> and to enlighten the behavior of lone pair triplets of fluorine atoms. Starting from stereochemistry rationale, Density Func...
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| Autors principals: | , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI AG
2021-08-01
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| Col·lecció: | Condensed Matter |
| Matèries: | |
| Accés en línia: | https://www.mdpi.com/2410-3896/6/3/31 |
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