| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394521 | Computational and Theoretical Chemistry | 2012 | 9 Pages |
Abstract
⺠Fluoride induction on phenol aromaticity in explicit water model was used. ⺠PCA identified the most representative set of orthogonal aromaticity indices. ⺠Induction effect of fluoride and first hydration layer influences were separated. ⺠Corresponding sets of distinct indices quantified independently these two factors. ⺠Aromaticity multidimensionality is responsible for such dual response to environment.
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Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Piotr Cysewski, Beata Szefler,