Modeling the absorbance properties of a pyrene chromophore grafted onto a Au25 nanocluster: A TD-DFT study

Journal of Physical Chemistry C

Volumn 118, Issue 8, 2014, Pages 4444-4453

  Fihey, Arnaud ^a   Maurel, François ^a   Perrier, Aurélie ^a  

^a UNIVERSITÉ PARIS DIDEROT   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORBANCE PROPERTIES; CLASSICAL MECHANICS; ELECTRONIC ABSORPTION SPECTRA; ELECTRONIC COMMUNICATIONS; GEOMETRY OPTIMIZATION; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURAL AND ELECTRONIC PROPERTIES; UV VISIBLE ABSORPTION SPECTRUM;

ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; CALCULATIONS; ELECTRONIC PROPERTIES; GRAFTING (CHEMICAL); HYBRID SYSTEMS; MOLECULAR DYNAMICS; NANOCLUSTERS; PYRENE;

CHROMOPHORES;

EID: 84896881466     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp410695v     Document Type: Article

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