Quantum chemical parametrization and spectroscopic characterization of the frenkel exciton hamiltonian for a J-aggregate forming perylene bisimide dye

Journal of Physical Chemistry A

Volumn 116, Issue 46, 2012, Pages 11451-11458

  Ambrosek, D ^a   Kohn A ^b   Schulze, J ^a   Kuhn O ^a  

^a UNIVERSITY OF ROSTOCK   (Germany)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AGGREGATE STRUCTURES; AMIDE FUNCTIONALITIES; COULOMB COUPLINGS; COUPLED MODE; DENSITY FUNCTIONALS; DISPERSION CORRECTION; FRENKEL EXCITONS; J AGGREGATES; MULTICONFIGURATION TIME-DEPENDENT HARTREE METHOD; OSCILLATOR MODEL; PARAMETRIZATIONS; PERYLENE BISIMIDE DYE; QUANTUM CHEMICAL; QUANTUM DYNAMICAL CALCULATIONS; SELF-CONSISTENT CHARGES; SPECTROSCOPIC CHARACTERIZATION; TIGHT BINDING; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TWO CHAINS; VIBRATIONAL COUPLINGS; VIBRATIONAL MODES; WAVE PACKET PROPAGATION;

DENSITY FUNCTIONAL THEORY; DIMERS; DYES; EXCITONS; HYDROGEN BONDS; POLYCYCLIC AROMATIC HYDROCARBONS; QUANTUM CHEMISTRY;

AGGREGATES;

DRUG DERIVATIVE; FLUORESCENT DYE; IMIDE; PERYLENE; PERYLENE BISIMIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; SYNTHESIS;

FLUORESCENT DYES; IMIDES; MOLECULAR STRUCTURE; PERYLENE; QUANTUM THEORY;

EID: 84869179119     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3069706     Document Type: Article

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