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Quantum mechanical study of solvent effects in a prototype S(N)2 reaction in solution: Cl(−) attack on CH(3)Cl
The nucleophilic attack of a chloride ion on methyl chloride is an important prototype S(N)2 reaction in organic chemistry that is known to be sensitive to the effects of the surrounding solvent. Herein, we develop a highly accurate Specific Reaction Parameter (SRP) model based on the Austin Model 1...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3977776/ https://ncbi.nlm.nih.gov/pubmed/24511924 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4863344 |
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