A. Charaf-Eddin

发表

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

C. Adamo, Aurélien Planchat, B. Mennucci, 2013, Journal of chemical theory and computation.

Perylene-derived triplet acceptors with optimized excited state energy levels for triplet-triplet annihilation assisted upconversion.

B. le Guennic, Jianzhang Zhao, D. Jacquemin, 2014, The Journal of organic chemistry.

Fluorescence in rhoda- and iridacyclopentadienes neglecting the spin-orbit coupling of the heavy atom: the ligand dominates.

Andreas Steffen, D. Jacquemin, A. Beeby, 2014, Inorganic chemistry.

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

Adèle D. Laurent, G. Ulrich, R. Ziessel, 2014, Chemistry.

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

Adèle D. Laurent, D. Jacquemin, Balaji Selvam, 2015 .

Tight-binding modeling of interstitial ordering processes in metals: Application to zirconium hydrides

F. Ribeiro, A. Charaf-Eddin, G. Tréglia, 2020, Physical Review B.

Extendable nickel complex tapes that reach NIR absorptions.

D. Jacquemin, H. Audi, A. D'Aléo, 2014, Chemical communications.

B. le Guennic, S. Chibani, D. Jacquemin, 2013, Journal of chemical theory and computation.

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

C. Adamo, Aurélien Planchat, D. Jacquemin, 2014, Journal of chemical theory and computation.

Optical Signatures of OBO Fluorophores: A Theoretical Analysis.

B. le Guennic, S. Chibani, B. Mennucci, 2014, Journal of chemical theory and computation.

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

Adèle D. Laurent, G. Ulrich, R. Ziessel, 2014, Physical chemistry chemical physics : PCCP.

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

D. Jacquemin, C. D. Gabbutt, A. Charaf-Eddin, 2014, Chemical communications.

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

B. le Guennic, J. Wu, F. Fages, 2015, The journal of physical chemistry. A.

Revisiting the optical signatures of BODIPY with ab initio tools

Adèle D. Laurent, S. Chibani, D. Jacquemin, 2013 .

A water soluble probe with near infrared two-photon absorption and polarity-induced fluorescence for cerebral vascular imaging

Denis Jacquemin, Cyrille Monnereau, Chantal Andraud, 2013 .

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

L. Pizzagalli, S. Brochard, A. Charaf-Eddin, 2014 .

Migration of noble gas atoms in interaction with vacancies in silicon

L. Pizzagalli, A. Charaf-Eddin, 2015 .

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

L. Pizzagalli, M. David, A. Charaf-Eddin, 2015 .

On the versatility of electronic structures in polymethine dyes

Denis Jacquemin, Cyrille Monnereau, Olivier Maury, 2014, Security and Defence.

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

Denis Jacquemin, Cyrille Monnereau, Chantal Andraud, 2014, The journal of physical chemistry. A.

Vibronic spectra of organic electronic chromophores

D. Jacquemin, F. Felpin, A. Charaf-Eddin, 2014 .

Optical properties of V-shaped bis-coumarins: Ab initio insights

D. Gryko, D. Jacquemin, M. Medved’, 2016 .

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

B. le Guennic, S. Chibani, D. Jacquemin, 2012, Journal of chemical theory and computation.

Interplay between solvent models and predicted optical spectra: A TD-DFT study of 7-OH-coumarin

D. Jacquemin, M. Fanuel, J. P. Cerón-Carrasco, 2013 .

Excited-states of BODIPY–cyanines: ultimate TD-DFT challenges?

D. Jacquemin, B. L. Guennic, A. Charaf-Eddin, 2014 .

Optical signatures of borico dyes: a TD-DFT analysis

B. le Guennic, D. Jacquemin, A. Charaf-Eddin, 2014, Theoretical Chemistry Accounts.

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

B. le Guennic, S. Chibani, G. Ulrich, 2013, Physical chemistry chemical physics : PCCP.

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

Adèle D. Laurent, G. Ulrich, R. Ziessel, 2014, Chemistry.

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

C. Adamo, Aurélien Planchat, D. Jacquemin, 2014, Journal of chemical theory and computation.