19 citations · 33 across the 4 of their papers we have counts for
4 papers
Mapping Charge-Transfer Excitations in Bacteriochlorophyll Dimers from First Principles
Zohreh Hashemi, Matthias Knodt, Mario R. G. Marques +1
Photoinduced charge-transfer excitations are key to understand the primary processes of natural photosynthesis and for designing photovoltaic and photocatalytic devices. In this pa…
Delocalized Electronic Excitations and their Role in Directional Charge Transfer in the Reaction Center of Rhodobacter Sphaeroides
Sabrina Volpert, Zohreh Hashemi, Johannes M. Foerster +4
In purple bacteria, the fundamental charge-separation step that drives the conversion of radiation energy into chemical energy proceeds along one branch - the A branch - of a heter…
Assessment of the Ab Initio Bethe-Salpeter Equation Approach for the Low-Lying Excitation Energies of Bacteriochlorophylls and Chlorophylls
Zohreh Hashemi, Linn Leppert
Bacteriochlorophyll and Chlorophyll molecules are crucial building blocks of the photosynthetic apparatus in bacteria, algae and plants. Embedded in transmembrane protein complexes…
First-principles study of MoS and MoSe nanoclusters in the framework of evolutionary algorithm and density functional theory
Zohre Hashemi, Shohreh Rafiezadeh, Roohollah Hafizi +2
Evolutionary algorithm is combined with full-potential ab-initio calculations to investigate conformational space of (MoS) and (MoSe) (n=1-10) nanoclusters and to i…