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Are Anion/π Interactions Actually a Case of Simple Charge–Dipole Interactions?
Substituent effects in Cl(−) ••• C(6)H(6−n)X(n) complexes, models for anion/π interactions, have been examined using density functional theory and robust ab initio methods paired with large basis sets. Predicted interaction energies for 83 model Cl(−) ••• C(6)H(6−n)X(n) complexes span almost 40 kcal...
में बचाया:
| मुख्य लेखकों: | , |
|---|---|
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
2010
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| विषय: | |
| ऑनलाइन पहुंच: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3049731/ https://ncbi.nlm.nih.gov/pubmed/20433187 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp1010549 |
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