Charaf-Eddin A - Search Results

1

Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT.

Charaf-Eddin A, Planchat A, Mennucci B, Adamo C, Jacquemin D. Charaf-Eddin A, et al. J Chem Theory Comput. 2013 Jun 11;9(6):2749-60. doi: 10.1021/ct4000795. Epub 2013 May 16. J Chem Theory Comput. 2013. PMID: 26583866

2

Optical Signatures of OBO Fluorophores: A Theoretical Analysis.

Chibani S, Charaf-Eddin A, Mennucci B, Le Guennic B, Jacquemin D. Chibani S, et al. Among authors: charaf eddin a. J Chem Theory Comput. 2014 Feb 11;10(2):805-15. doi: 10.1021/ct4009848. J Chem Theory Comput. 2014. PMID: 26580054

3

Boranil and Related NBO Dyes: Insights From Theory.

Chibani S, Charaf-Eddin A, Le Guennic B, Jacquemin D. Chibani S, et al. J Chem Theory Comput. 2013 Jul 9;9(7):3127-35. doi: 10.1021/ct400392r. Epub 2013 Jun 27. J Chem Theory Comput. 2013. PMID: 26583992

4

Electronic Band Shapes Calculated with Optimally Tuned Range-Separated Hybrid Functionals.

Moore B 2nd, Charaf-Eddin A, Planchat A, Adamo C, Autschbach J, Jacquemin D. Moore B 2nd, et al. Among authors: charaf eddin a. J Chem Theory Comput. 2014 Oct 14;10(10):4599-608. doi: 10.1021/ct500712w. Epub 2014 Sep 23. J Chem Theory Comput. 2014. PMID: 26588153

5

On the Computation of Adiabatic Energies in Aza-Boron-Dipyrromethene Dyes.

Chibani S, Le Guennic B, Charaf-Eddin A, Maury O, Andraud C, Jacquemin D. Chibani S, et al. J Chem Theory Comput. 2012 Sep 11;8(9):3303-13. doi: 10.1021/ct300618j. Epub 2012 Aug 22. J Chem Theory Comput. 2012. PMID: 26605737

6

The NBO pattern in luminescent chromophores: unravelling excited-state features using TD-DFT.

Le Guennic B, Chibani S, Charaf-Eddin A, Massue J, Ziessel R, Ulrich G, Jacquemin D. Le Guennic B, et al. Phys Chem Chem Phys. 2013 May 28;15(20):7534-40. doi: 10.1039/c3cp50669j. Epub 2013 Apr 12. Phys Chem Chem Phys. 2013. PMID: 23584386

7

White emitters by tuning the excited-state intramolecular proton-transfer fluorescence emission in 2-(2'-hydroxybenzofuran)benzoxazole dyes.

Benelhadj K, Muzuzu W, Massue J, Retailleau P, Charaf-Eddin A, Laurent AD, Jacquemin D, Ulrich G, Ziessel R. Benelhadj K, et al. Among authors: charaf eddin a. Chemistry. 2014 Sep 26;20(40):12843-57. doi: 10.1002/chem.201402717. Epub 2014 Aug 21. Chemistry. 2014. PMID: 25145709

8

Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes.

Houari Y, Charaf-Eddin A, Laurent AD, Massue J, Ziessel R, Ulrich G, Jacquemin D. Houari Y, et al. Among authors: charaf eddin a. Phys Chem Chem Phys. 2014 Jan 28;16(4):1319-21. doi: 10.1039/c3cp54703e. Phys Chem Chem Phys. 2014. PMID: 24309560

9

Expanding the polymethine paradigm: evidence for the contribution of a bis-dipolar electronic structure.

Pascal S, Haefele A, Monnereau C, Charaf-Eddin A, Jacquemin D, Le Guennic B, Andraud C, Maury O. Pascal S, et al. Among authors: charaf eddin a. J Phys Chem A. 2014 Jun 12;118(23):4038-47. doi: 10.1021/jp501358q. Epub 2014 Jun 2. J Phys Chem A. 2014. PMID: 24835334 Free article.

10

Tuning the Direction of Intramolecular Charge Transfer and the Nature of the Fluorescent State in a T-Shaped Molecular Dyad.

Felouat A, D'Aléo A, Charaf-Eddin A, Jacquemin D, Le Guennic B, Kim E, Lee KJ, Woo JH, Ribierre JC, Wu JW, Fages F. Felouat A, et al. Among authors: charaf eddin a. J Phys Chem A. 2015 Jun 18;119(24):6283-95. doi: 10.1021/acs.jpca.5b03699. Epub 2015 Jun 9. J Phys Chem A. 2015. PMID: 26020582

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