Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character

Thibaud Etienne (1, 2) , Xavier Assfeld (2) , Antonio Monari (2)

1 UCPTS - Unité de Chimie Physique Théorique et Structurale
2 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes

Domaines: Chimie

Thibaud Etienne, Xavier Assfeld, Antonio Monari. Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character. Journal of Chemical Theory and Computation, 2014, 10 (9), pp.3896 - 3905. ⟨10.1021/ct5003994⟩. ⟨hal-01913570⟩