Tautomeric contributions to the absorption spectrum of [2,2′-bipyridyl]-3,3′-diol in water unveiled by molecular dynamics with accurate quantum mechanically derived force-fields

Autor: Prampolini, Giacomo, Porwal, Vishal K., Carof, Antoine, Ingrosso, Francesca
Zdroj: In Journal of Molecular Liquids 15 February 2024 396
Databáze: ScienceDirect