Research Article
Topological Model on the Inductive Effect in Alkyl Halides Using Local Quantum Similarity and Reactivity Descriptors in the Density Functional Theory
Table 8
Local reactivity indexes.
| | | |
| Atoms | | | | Atoms | | | | Atoms | | | |
| 1C | 0.38 | 0.12 | 0.32 | 1C | 0.53 | 0.03 | 1.11 | 1C | 0.45 | 0.02 | 0.91 | 2H | 0.20 | 0.14 | 0.17 | 2H | 0.01 | 0.00 | 0.02 | 2H | 0.02 | 0.00 | 0.04 | 3H | 0.20 | 0.04 | 0.17 | 3H | 0.01 | 0.02 | 0.02 | 3H | 0.02 | 0.02 | 0.04 | 4H | 0.20 | 0.04 | 0.17 | 4H | 0.01 | 0.02 | 0.02 | 4H | 0.02 | 0.02 | 0.04 | 5F | 0.02 | 0.66 | 0.02 | 5Cl | 0.42 | 0.92 | 0.88 | 5Br | 0.49 | 0.95 | 0.99 |
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