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

Boris Le Guennic , Siwar Chibani , Azzam Charaf-Eddin , Julien Massue
Physical Chemistry Chemical Physics 15 ( 20) 7534 -7540

28
2013
Fluorescence in Rhoda- and Iridacyclopentadienes Neglecting the Spin–Orbit Coupling of the Heavy Atom: The Ligand Dominates

Andreas Steffen , Karine Costuas , Abdou Boucekkine , Marie-Hélène Thibault
Inorganic Chemistry 53 ( 13) 7055 -7069

25
2014
Interplay between TiO2 Surfaces and Organic Photochromes: A DFT Study of Adsorbed Azobenzenes and Diarylethenes

Kathy J. Chen , Azzam Charaf-Eddin , Balaji Selvam , Florent Boucher
Journal of Physical Chemistry C 119 ( 7) 3684 -3696

11
2015
On the versatility of electronic structures in polymethine dyes

Simon Pascal , Alexandre Haefele , Cyrille Monnereau , Azzam Charaf-Eddin
Optics and Photonics for Counterterrorism, Crime Fighting, and Defence X; and Optical Materials and Biomaterials in Security and Defence Systems Technology XI 9253

2014
Extendable nickel complex tapes that reach NIR absorptions

Hassib Audi , Zhongrui Chen , Azzam Charaf-Eddin , Anthony D’Aléo
Chemical Communications 50 ( 96) 15140 -15143

16
2014
The first structural and spectroscopic characterisation of a ring-opened form of a 2H-naphtho[1,2-b]pyran: a novel photomerocyanine

Stuart Aiken , Kathryn Booth , Christopher D. Gabbutt , B. Mark Heron
Chemical Communications 50 ( 58) 7900 -7903

14
2014
A. 32 Etude quantique (DFT) de la fluorescence inhabituelle d'un derivés de rhodacylopentadiène

Karine Costuas , Abdou Boucekkine , Marie-Hélène Thibault , Andrew Beeby
Bienvenue à Paris pour le 14e des Rencontres des 85 -85

Migration of noble gas atoms in interaction with vacancies in silicon

L Pizzagalli , A Charaf-Eddin
Semiconductor Science and Technology 30 ( 8) 085022

4
2015
First-principles calculations of helium and neon desorption from cavities in silicon.

A Charaf Eddin , L Pizzagalli
Journal of Physics: Condensed Matter 24 ( 17) 175006

6
2012
Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks.

Chi‐Ta Yang , Aseem Rajan Kshirsagar , Azzam Charaf Eddin , Li‐Chiang Lin
Chemistry: A European Journal 24 ( 57) 15167 -15172

12
2018
Understanding the mechanism of carbon dioxide uptake by a photoresponsive MOF

Roberta Poloni , Chi-Ta Yang , Azzam Charaf Eddin , Li-Chiang Lin
Abstracts of Papers of the American Chemical Society 255

2018
Atomistic Understandings of the CO 2 Uptake Difference in Photo Responsive Metal-Organic Frameworks

Chi-Ta Yang , Azzam Charaf Eddin , Roberta Poloni , Li-Chiang Lin
2017 AIChE Annual Meeting

2017
Numerical simulations and modeling of the stability of noble gas atoms in interaction with vacancies in silicon

L. Pizzagalli , A. Charaf-Eddin , S. Brochard
Computational Materials Science 95 149 -158

6
2014
Investigation of helium interstitials aggregation in silicon: Why bubbles formation by a self-trapping mechanism does not work

L. Pizzagalli , M.-L. David , A. Charaf-Eddin
Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms 352 152 -155

6
2015