Ab initio study of the emissive charge-transfer states of solvated chromophore-functionalized silsesquioxanes

Journal of the American Chemical Society

Volumn 134, Issue 16, 2012, Pages 6944-6947

  Zheng, Shaohui ^a   Phillips, Heidi ^a   Geva, Eitan ^a   Dunietz, Barry D ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHODOLOGY; AB INITIO STUDY; BUILDING BLOCKES; CHARGE TRANSFER STATE; EMISSIVE STATE; PHOTOVOLTAIC MATERIALS; POLARIZABLE CONTINUUM MODEL; RED SHIFT; SILSESQUIOXANES; SOLVATION EFFECT; SOLVENT EFFECTS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

CALCULATIONS; CHARGE TRANSFER; CHROMOPHORES; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; OPTICAL PROPERTIES; ORGANIC COATINGS;

LIGANDS;

SILSESQUIOXANE; STILBENE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ABSORPTION; ARTICLE; CHROMATOPHORE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; POLARIZABLE CONTINUUM MODEL; RANGE SEPARATED HYBRID FUNCTIONAL MODEL; SOLVENT EFFECT; SURFACE CHARGE;

MODELS, MOLECULAR; ORGANOSILICON COMPOUNDS; QUANTUM THEORY; SOLUBILITY; SOLVENTS;

EID: 84860319202     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja301442v     Document Type: Article

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