A carregar...

Computational study of the rate constants and free energies of intramolecular radical addition to substituted anilines

The intramolecular radical addition to aniline derivatives was investigated by DFT calculations. The computational methods were benchmarked by comparing the calculated values of the rate constant for the 5-exo cyclization of the hexenyl radical with the experimental values. The dispersion-corrected...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Main Authors: Gansäuer, Andreas, Seddiqzai, Meriam, Dahmen, Tobias, Sure, Rebecca, Grimme, Stefan
Formato: Artigo
Idioma:Inglês
Publicado em: Beilstein-Institut 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3778327/
https://ncbi.nlm.nih.gov/pubmed/24062821
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.9.185
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!