Amir Sidat
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View article: Performance of point charge embedding schemes for excited states in molecular organic crystals
Performance of point charge embedding schemes for excited states in molecular organic crystals Open
Modeling excited state processes in molecular crystals is relevant for several applications. A popular approach for studying excited state molecular crystals is to use cluster models embedded in point charges. In this paper, we compare the…
View article: Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole
Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole Open
Optoelectronic materials based on metal-free organic molecules represent a promising alternative to traditional inorganic devices. Significant attention has been devoted to the development of the third generation of OLEDs which are based o…
View article: Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole
Competition between ultralong organic phosphorescence and thermally activated delayed fluorescence in dichloro derivatives of 9-benzoylcarbazole Open
The competition between thermally activated delayed fluorescence and ultralong phosphorescence in derivatives of 9-benzoylcarbazole is determined by the volume available for geometry relaxation in the crystalline phase.
View article: <scp>fromage</scp> : A library for the study of molecular crystal excited states at the aggregate scale
<span>fromage</span> : A library for the study of molecular crystal excited states at the aggregate scale Open
The study of photoexcitations in molecular aggregates faces the twofold problem of the increased computational cost associated with excited states and the complexity of the interactions among the constituent monomers. A mechanistic investi…
View article: Fromage: A Library for the Study of Molecular Crystal Excited States at the Aggregate Scale
Fromage: A Library for the Study of Molecular Crystal Excited States at the Aggregate Scale Open
The study of photoexcitations in molecular aggregates faces the twofold problem of the increased computational cost associated with excited states and the complexity of the interactions among the constituent monomers. A mechanistic investi…
View article: Fromage: A Library for the Study of Molecular Crystal Excited States at the Aggregate Scale
Fromage: A Library for the Study of Molecular Crystal Excited States at the Aggregate Scale Open
The study of photoexcitations in molecular aggregates faces the twofold problem of the increased computational cost associated with excited states and the complexity of the interactions among the constituent monomers. A mechanistic investi…