Abstract
Computational chemistry is able to reproduce and explain experimental reaction times for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene both in solution and ball milling conditions.
- Title
- Computational study on the mechanism for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions
- Creators - without role
- Dayana Galeas - Institut Català d'Investigació QuímicaIogann Tolbatov - Institut Català d'Investigació QuímicaEvelina Colacino - Université de Montpellier, Institut Charles Gerhardt Montpellier - ICGMFeliu Maseras - Institut Català d'Investigació Química
- Publication Details
- Physical Chemistry Chemical Physics, Vol.26(37), pp.24288-24293
- Identifiers
- 9946916109311
- Academic Unit
- Institut Charles Gerhardt Montpellier - ICGM
- Language
- English
- Resource Type
- Journal article
- Local Fields
- hal-04715633