Nonadiabatic molecular dynamics with solvent effects: A LR-TDDFT QM/MM study of ruthenium (II) tris (bipyridine) in water

Chemical Physics

Volumn 391, Issue 1, 2011, Pages 101-109

  Tavernelli, Ivano ^a   Curchod, Basile F E ^a   Rothlisberger, Ursula ^a  

^a EPFL   (Switzerland)

Author keywords

Inorganic dyes; LR TDDFT; Nonadiabatic dynamics; QM MM; Ruthenium (II) tris (bipyridine); Surface hopping

Indexed keywords

EID: 82255175241     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.03.021     Document Type: Article

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