Full cLR-PCM calculations of the solvatochromic effects on emission energies

Physical Chemistry Chemical Physics

Volumn 16, Issue 47, 2014, Pages 26024-26029

  Chibani, Siwar ^a   Budzák, Šimon ^b   Medved’, Miroslav ^b   Mennucci, Benedetta ^c   Jacquemin, Denis ^a,d  

^a UNIVERSITÉ DE NANTES   (France)

^b MATEJ BEL UNIVERSITY   (Slovakia)

^c UNIVERSITY OF PISA   (Italy)

^d INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84912544464     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c4cp03919j     Document Type: Article

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39. Those calculations have been performed using the 6-311+G(2d, p) atomic basis set, considering PBE0/6-31G(d) geometries and varying the exchange correlation functional used to determine the vertical emission energies
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