Confinement effects on UV-visible absorption spectra: β-Carotene inside carbon nanotube as a test case

Journal of Physical Chemistry Letters

Volumn 4, Issue 8, 2013, Pages 1239-1243

  García, Gregorio ^a,b   Ciofini, Ilaria ^b   Fernández Gómez, Manuel ^a   Adamo, Carlo ^b,c  

^a UNIVERSITY OF JAÉN   (Spain)

^b PSL RESEARCH UNIVERSITY   (France)

^c INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

carotene; carbon nanotube; electronic embedding; time dependent density functional theory; UV vis spectra

Indexed keywords

COMPUTATIONAL PROTOCOLS; CONFINEMENT EFFECTS; DISPERSION CORRECTION; ELECTRONIC EMBEDDING; HOST GUEST INTERACTIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; UV VISIBLE ABSORPTION SPECTRUM; UV-VIS SPECTRA;

DENSITY FUNCTIONAL THEORY; OPTICAL PROPERTIES;

CARBON NANOTUBES;

EID: 84876522771     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz400254h     Document Type: Article

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