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Azzam CHARAF-EDDIN
Azzam CHARAF-EDDIN
Junior Scientist
Verifierad e-postadress på cinam.univ-mrs.fr - Startsida
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Choosing a functional for computing absorption and fluorescence band shapes with TD-DFT
A Charaf-Eddin, A Planchat, B Mennucci, C Adamo, D Jacquemin
Journal of chemical theory and computation 9 (6), 2749-2760, 2013
2752013
Revisiting the optical signatures of BODIPY with ab initio tools
S Chibani, B Le Guennic, A Charaf-Eddin, AD Laurent, D Jacquemin
Chemical Science 4 (5), 1950-1963, 2013
1512013
White emitters by tuning the excited‐state intramolecular proton‐transfer fluorescence emission in 2‐(2′‐hydroxybenzofuran) benzoxazole dyes
K Benelhadj, W Muzuzu, J Massue, P Retailleau, A Charaf‐Eddin, ...
Chemistry–A European Journal 20 (40), 12843-12857, 2014
1442014
On the computation of adiabatic energies in aza-boron-dipyrromethene dyes
S Chibani, B Le Guennic, A Charaf-Eddin, O Maury, C Andraud, ...
Journal of chemical theory and computation 8 (9), 3303-3313, 2012
1152012
Expanding the polymethine paradigm: Evidence for the contribution of a bis-dipolar electronic structure
S Pascal, A Haefele, C Monnereau, A Charaf-Eddin, D Jacquemin, ...
The Journal of Physical Chemistry A 118 (23), 4038-4047, 2014
1102014
A water soluble probe with near infrared two-photon absorption and polarity-induced fluorescence for cerebral vascular imaging
J Massin, A Charaf-Eddin, F Appaix, Y Bretonnière, D Jacquemin, ...
Chemical Science 4 (7), 2833-2843, 2013
822013
Boranil and related NBO dyes: insights from theory
S Chibani, A Charaf-Eddin, B Le Guennic, D Jacquemin
Journal of Chemical Theory and Computation 9 (7), 3127-3135, 2013
812013
Excited-states of BODIPY–cyanines: ultimate TD-DFT challenges?
A Charaf-Eddin, B Le Guennic, D Jacquemin
Rsc Advances 4 (90), 49449-49456, 2014
712014
Perylene-derived triplet acceptors with optimized excited state energy levels for triplet–triplet annihilation assisted upconversion
X Cui, A Charaf-Eddin, J Wang, B Le Guennic, J Zhao, D Jacquemin
The Journal of organic chemistry 79 (5), 2038-2048, 2014
612014
Modeling optical signatures and excited-state reactivities of substituted hydroxyphenylbenzoxazole (HBO) ESIPT dyes
Y Houari, A Charaf-Eddin, AD Laurent, J Massue, R Ziessel, G Ulrich, ...
Physical Chemistry Chemical Physics 16 (4), 1319-1321, 2014
582014
Optical signatures of OBO fluorophores: a theoretical analysis
S Chibani, A Charaf-Eddin, B Mennucci, B Le Guennic, D Jacquemin
Journal of Chemical Theory and Computation 10 (2), 805-815, 2014
552014
Electronic band shapes calculated with optimally tuned range-separated hybrid functionals
B Moore, A Charaf-Eddin, A Planchat, C Adamo, J Autschbach, ...
Journal of Chemical Theory and Computation 10 (10), 4599-4608, 2014
442014
Fluorescence in rhoda-and iridacyclopentadienes neglecting the spin–orbit coupling of the heavy atom: the ligand dominates
A Steffen, K Costuas, A Boucekkine, MH Thibault, A Beeby, AS Batsanov, ...
Inorganic Chemistry 53 (13), 7055-7069, 2014
432014
First principles calculation of noble gas atoms properties in 3C–SiC
AC Eddin, L Pizzagalli
Journal of nuclear materials 429 (1-3), 329-334, 2012
352012
Tuning gas adsorption by metal node blocking in photoresponsive metal–Organic frameworks
CT Yang, AR Kshirsagar, AC Eddin, LC Lin, R Poloni
Chemistry–A European Journal 24 (57), 15167-15172, 2018
332018
The NBO pattern in luminescent chromophores: unravelling excited-state features using TD-DFT
B Le Guennic, S Chibani, A Charaf-Eddin, J Massue, R Ziessel, G Ulrich, ...
Physical Chemistry Chemical Physics 15 (20), 7534-7540, 2013
332013
Tuning the direction of intramolecular charge transfer and the nature of the fluorescent state in a T-shaped molecular dyad
A Felouat, A D’Aléo, A Charaf-Eddin, D Jacquemin, B Le Guennic, E Kim, ...
The Journal of Physical Chemistry A 119 (24), 6283-6295, 2015
312015
Extendable nickel complex tapes that reach NIR absorptions
H Audi, Z Chen, A Charaf-Eddin, A D’Aléo, G Canard, D Jacquemin, O Siri
Chemical communications 50 (96), 15140-15143, 2014
312014
The first structural and spectroscopic characterisation of a ring-opened form of a 2 H-naphtho [1, 2-b] pyran: a novel photomerocyanine
S Aiken, K Booth, CD Gabbutt, BM Heron, CR Rice, A Charaf-Eddin, ...
Chemical communications 50 (58), 7900-7903, 2014
202014
Vibronic spectra of organic electronic chromophores
A Charaf-Eddin, T Cauchy, FX Felpin, D Jacquemin
RSC advances 4 (98), 55466-55472, 2014
192014
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Artiklar 1–20