Acidity of the chlorinated phenols: DFT study and experiential affirmation.
Acidity
Chlorinated phenols
DFT calculation
Journal
Journal of molecular modeling
ISSN: 0948-5023
Titre abrégé: J Mol Model
Pays: Germany
ID NLM: 9806569
Informations de publication
Date de publication:
26 Jun 2019
26 Jun 2019
Historique:
received:
04
07
2018
accepted:
17
06
2019
entrez:
28
6
2019
pubmed:
28
6
2019
medline:
28
6
2019
Statut:
epublish
Résumé
A quantum mechanical density functional theory (DFT) was successfully developed for the estimation of pK
Identifiants
pubmed: 31243600
doi: 10.1007/s00894-019-4096-2
pii: 10.1007/s00894-019-4096-2
doi:
Types de publication
Journal Article
Langues
eng
Pagination
201Références
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