Quantum mechanical calculations coupled with a dynamical continuum model for the description of dielectric relaxation: Time dependent Stokes shift of coumarin C153 in polar solvents

Francesca Ingrosso (1) , Benedetta Mennucci (2) , Jacopo Tomasi

1 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes
2 Dipartimento di Chimica e Chimica Industriale

Domaines: Chimie théorique et/ou physique

Francesca Ingrosso, Benedetta Mennucci, Jacopo Tomasi. Quantum mechanical calculations coupled with a dynamical continuum model for the description of dielectric relaxation: Time dependent Stokes shift of coumarin C153 in polar solvents. Journal of Molecular Liquids, 2003, 108 (1-3), pp.21-46. ⟨10.1016/S0167-7322(03)00172-7⟩. ⟨hal-01964908⟩