A carregar...
An interacting quantum atom study of model S(N)2 reactions (X(–)···CH(3)X, X = F, Cl, Br, and I)
The quantum chemical topology method has been used to analyze the energetic profiles in the X(–) + CH(3)X → XCH(3) + X(–)S(N)2 reactions, with X = F, Cl, Br, and I. The evolution of the electron density properties at the BCPs along the reaction coordinate has been analysed. The interacting quantum a...
Na minha lista:
| Publicado no: | J Comput Chem |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2017
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5836863/ https://ncbi.nlm.nih.gov/pubmed/29125196 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.25098 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|