A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects

Thibaud Etienne (1, 2) , Thibaut Véry (1) , Eric Perpète (1) , Antonio Monari (1) , Xavier Assfeld (1)

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

Domaines: Chimie

Thibaud Etienne, Thibaut Véry, Eric Perpète, Antonio Monari, Xavier Assfeld. A QM/MM Study of the Absorption Spectrum of Harmane in Water Solution and Interacting with DNA: The Crucial Role of Dynamic Effects. Journal of Physical Chemistry B, 2013, 117 (17), pp.4973 - 4980. ⟨10.1021/jp4017882⟩. ⟨hal-01913522⟩