Réformulation du modèle à délocalisation, application à la réactivité chimique
✍ Scribed by O. Chalvet; R. Constanciel; C. Décoret; J. Royer
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 188 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0037-9646
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✦ Synopsis
Abstract
A new formulation is presented for the delocalisation model in which the effects of environment are considered in an explicit manner. The method permits one to find the successive inversions for the selectivity of reactional sites for the 1‐methyl‐quinoleinium ions and for toluene as a function of Mullikens electronegativity, and depending only on the nature of the reactants which are engaged.
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## Abstract The introduction of symmetry‐adapted hybrid atomic orbitals on the metallic atoms allows us to divide the crystal into elementary cells which contain 8 valence electrons each. These cells are described by linear combinations of the halogen valence shell __s__ and __p__ orbitals and the
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