The influence of the organic residue and the solvent in the Schlenk equilibrium for Grignard reagents in THF. A molecular dynamics study with machine learning potentials

Article de revue

Avec comité de lecture

Marco Bortoli, Sigbjørn Løland Bore, Odile Eisenstein et Michele Cascella

Journal of Catalysis, Vol.454

02/2026

Fichiers et liens (2)

url

Find in HALAfficher

url

https://doi.org/10.1016/j.jcat.2025.116619Afficher

Published (Version of record) Ouvrir

1 Consultations de la notice

Titre: The influence of the organic residue and the solvent in the Schlenk equilibrium for Grignard reagents in THF. A molecular dynamics study with machine learning potentials
Créateurs - sans rôle: Marco Bortoli
Sigbjørn Løland Bore - Hylleraas Centre for Quantum Molecular Sciences
Odile Eisenstein - Académie des sciences
Michele Cascella - Hylleraas Centre for Quantum Molecular Sciences
Détails de publication: Journal of Catalysis, Vol.454
Identifiants: 99166686009311
Unité académique: Institut Charles Gerhardt Montpellier - ICGM
Langue: English
Type de ressource: Journal article
Champs locaux: hal-05441570