The NBO pattern in luminescent chromophores: unravelling excited-state features using TD-DFT
- Author
- LE GUENNIC, Boris1 ; CHIBANI, Siwar2 ; CHARAF-EDDIN, Azzam2 ; MASSUE, Julien3 ; ZIESSEL, Raymond3 ; ULRICH, Gilles3 ; JACQUEMIN, Denis2 4
[1] Institut des Sciences Chimiques de Rennes, CNRS-Université de Rennes 1, 1 Av. du Général Leclerc, 35042 Rennes, France
[2] CEISAM, UMR CNRS 6230, BP 92208, Université de Nantes, 2, Rue de la Houssinière, 44322 Nantes, France
[3] ICPEES-LCOSA, UMR CNRS 7575, Ecole de Chimie, Polymères, Matériaux de Strasbourg (ECPM), 25 rue Becquerel, 67087 Strasbourg, France
[4] Institut Universitaire de France, 103, bd Saint-Michel, 75005 Paris, France - Source
PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 20, pp 7534-7540, 7 p ; ref : 44 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Chromophore Fonctionnelle densité Propriété optique
- Keyword (en)
- Chromophores Density functional Optical properties
- Keyword (es)
- Funciónal densidad
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27334936
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1039/c3cp50669j 
https://dx.doi.org/10.1039/c3cp50669j
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