Fluorene-imidazole dyes excited states from first-principles calculations - Topological insights

Thibaud Etienne (1) , Hugo Gattuso (2) , Catherine Michaux (3) , Antonio Monari (2) , Xavier Assfeld (2) , Eric Perpète (3)

1 CLHYO - Computational Laboratory for Hybrid/Organic Photovoltaics
2 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes
3 UCPTS - Unité de Chimie Physique Théorique et Structurale

Domaines: Chimie

Thibaud Etienne, Hugo Gattuso, Catherine Michaux, Antonio Monari, Xavier Assfeld, et al.. Fluorene-imidazole dyes excited states from first-principles calculations - Topological insights. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2016, 135 (4), ⟨10.1007/s00214-016-1866-0⟩. ⟨hal-01913546⟩