Works matching AU Boucekkine, Abdou

Results: 30

Methyl Viologens of Bis‐(4'‐Pyridylethynyl)Arenes – Structures, Photophysical and Electrochemical Studies, and their Potential Application in Biology.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 40, p. 1, doi. 10.1002/chem.202200753

By:

Kole, Goutam Kumar;
Košćak, Marta;
Amar, Anissa;
Majhen, Dragomira;
Božinović, Ksenija;
Brkljaca, Zlatko;
Ferger, Matthias;
Michail, Evripidis;
Lorenzen, Sabine;
Friedrich, Alexandra;
Krummenacher, Ivo;
Moos, Michael;
Braunschweig, Holger;
Boucekkine, Abdou;
Lambert, Christoph;
Halet, Jean‐François;
Piantanida, Ivo;
Müller‐Buschbaum, Klaus;
Marder, Todd B.

Publication type:

Article

2‐ and 2,7‐Substituted para‐N‐Methylpyridinium Pyrenes: Syntheses, Molecular and Electronic Structures, Photophysical, Electrochemical, and Spectroelectrochemical Properties and Binding to Double‐Stranded (ds) DNA.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 8, p. 2837, doi. 10.1002/chem.202004748

By:

Kole, Goutam Kumar;
Merz, Julia;
Amar, Anissa;
Fontaine, Bruno;
Boucekkine, Abdou;
Nitsch, Jörn;
Lorenzen, Sabine;
Friedrich, Alexandra;
Krummenacher, Ivo;
Košćak, Marta;
Braunschweig, Holger;
Piantanida, Ivo;
Halet, Jean‐François;
Müller‐Buschbaum, Klaus;
Marder, Todd B.

Publication type:

Article

Reassessment of methyl rotation barriers and conformations by correlated quantum chemistry methods.

Published in:

Journal of Computational Chemistry, 2003, v. 24, n. 16, p. 2093

By:

Alberto Del Rio;
Abdou Boucekkine;
Jean Meinnel

Publication type:

Article

Photoisomerisation in Aminoazobenzene-Substituted Ruthenium(II) Tris(bipyridine) Complexes: Influence of the Conjugation Pathway.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 22, p. 8262, doi. 10.1002/chem.201406002

By:

Amar, Anissa;
Savel, Paul;
Akdas ‐ Kilig, Huriye;
Katan, Claudine;
Meghezzi, Hacène;
Boucekkine, Abdou;
Malval, Jean ‐ Pierre;
Fillaut, Jean ‐ Luc

Publication type:

Article

DFT Investigations of the Magnetic Properties of Actinide Complexes.

Published in:

Magnetochemistry, 2019, v. 5, n. 1, p. 1, doi. 10.3390/magnetochemistry5010015

By:

Belkhiri, Lotfi;
Le Guennic, Boris;
Boucekkine, Abdou

Publication type:

Article

Experimental and Theoretical Studies of Quadrupolar Oligothiophene-Cored Chromophores Containing Dimesitylboryl Moieties as π-Accepting End-Groups: Syntheses, Structures, Fluorescence, and One- and Two-Photon Absorption.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 42, p. 13618, doi. 10.1002/chem.201402273

By:

Ji, Lei;
Edkins, Robert M.;
Sewell, Laura J.;
Beeby, Andrew;
Batsanov, Andrei S.;
Fucke, Katharina;
Drafz, Martin;
Howard, Judith A. K.;
Moutounet, Odile;
Ibersiene, Fatima;
Boucekkine, Abdou;
Furet, Eric;
Liu, Zhiqiang;
Halet, Jean ‐ François;
Katan, Claudine;
Marder, Todd B.

Publication type:

Article

Back Cover: The First Hexadithienylethene-Substituted Tris(bipyridine)metal Complexes as Quadratic NLO Photoswitches: Combined Experimental and DFT Studies (Chem. Eur. J. 19/2013).

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 19, p. 6140, doi. 10.1002/chem.201390068

By:

Ordronneau, Lucie;
Aubert, Vincent;
Guerchais, Véronique;
Boucekkine, Abdou;
Le Bozec, Hubert;
Singh, Anu;
Ledoux, Isabelle;
Jacquemin, Denis

Publication type:

Article

The First Hexadithienylethene-Substituted Tris(bipyridine)metal Complexes as Quadratic NLO Photoswitches: Combined Experimental and DFT Studies.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 19, p. 5845, doi. 10.1002/chem.201300517

By:

Ordronneau, Lucie;
Aubert, Vincent;
Guerchais, Véronique;
Boucekkine, Abdou;
Le Bozec, Hubert;
Singh, Anu;
Ledoux, Isabelle;
Jacquemin, Denis

Publication type:

Article

Triaryl-1,3,5-triazinane-2,4,6-triones (Isocyanurates) Peripherally Functionalized by Donor Groups: Synthesis and Study of Their Linear and Nonlinear Optical Properties.

Published in:

Chemistry - A European Journal, 2012, v. 18, n. 37, p. 11811, doi. 10.1002/chem.201200484

By:

Argouarch, Gilles;
Veillard, Romain;
Roisnel, Thierry;
Amar, Anissa;
Meghezzi, Hacène;
Boucekkine, Abdou;
Hugues, Vincent;
Mongin, Olivier;
Blanchard-Desce, Mireille;
Paul, Frédéric

Publication type:

Article

Linear and Nonlinear Optical Properties of Quadrupolar Bithiophenes and Cyclopentadithiophenes as Fluorescent Oxygen Photosensitizers.

Published in:

Photochem, 2023, v. 3, n. 1, p. 127, doi. 10.3390/photochem3010009

By:

Richy, Nicolas;
Gam, Safa;
Messaoudi, Sabri;
Triadon, Amédée;
Mongin, Olivier;
Blanchard-Desce, Mireille;
Latouche, Camille;
Humphrey, Mark G.;
Boucekkine, Abdou;
Halet, Jean-François;
Paul, Frédéric

Publication type:

Article

Electronic Absorption, Emission, and Two-Photon Absorption Properties of Some Extended 2,4,6-Triphenyl-1,3,5-Triazines.

Published in:

Photochem, 2022, v. 2, n. 2, p. 326, doi. 10.3390/photochem2020023

By:

Barnes, Alison G.;
Richy, Nicolas;
Amar, Anissa;
Blanchard-Desce, Mireille;
Boucekkine, Abdou;
Mongin, Olivier;
Paul, Frédéric

Publication type:

Article

Exchange Couplings and Magneto‐Structural Correlations of Trinuclear MII‐UIV‐MII (MII=Co, Ni, Cu) Complexes.

Published in:

European Journal of Inorganic Chemistry, 2024, v. 27, n. 14, p. 1, doi. 10.1002/ejic.202300788

By:

Belkhiri, Lotfi;
Maurice, Rémi;
Le Guennic, Boris;
Boucekkine, Abdou;
Ephritikhine, Michel

Publication type:

Article

Cyclometallated Pt(II) Complexes Containing a Functionalized Bis‐Urea Alkynyl Ligand: Probing Aggregation Mediated by Hydrogen Bonds versus Pt⋅⋅⋅Pt and π−π Interactions.

Published in:

European Journal of Inorganic Chemistry, 2021, v. 2021, n. 35, p. 3622, doi. 10.1002/ejic.202100499

By:

Basuyaux, Gaëtan;
Amar, Anissa;
Troufflard, Claire;
Boucekkine, Abdou;
Métivier, Rémi;
Raynal, Matthieu;
Moussa, Jamal;
Bouteiller, Laurent;
Amouri, Hani

Publication type:

Article

Electronic structure and magnetic properties of naphthalene- and stilbene-diimide-bridged diuranium(V) complexes: a theoretical study.

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04552-9

By:

Boucenina, Seddik;
Belkhiri, Lotfi;
Meskaldji, Samir;
Linguerri, Roberto;
Chambaud, Gilberte;
Boucekkine, Abdou;
Hochlaf, Majdi

Publication type:

Article

Vibronic coupling to simulate the phosphorescence spectra of Ir(III)-based OLED systems: TD-DFT results meet experimental data.

Published in:

Journal of Molecular Modeling, 2016, v. 22, n. 11, p. 1, doi. 10.1007/s00894-016-3132-8

By:

Belaidi, Houmam;
Belaidi, Salah;
Katan, Claudine;
Latouche, Camille;
Boucekkine, Abdou

Publication type:

Article

DFT study of sulfur derivatives of cumulenes and their protonated forms of interstellar interest and calculations of dissociation energies of protonated forms (SC(CH)CS) (n = 3-8).

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 7, p. 1, doi. 10.1007/s00894-014-2295-4

By:

Benmensour, Mohamed;
Djennane-Bousmaha, Sema;
Boucekkine, Abdou

Publication type:

Article

Redox properties of biscyclopentadienyl uranium(V) imido-halide complexes: a relativistic DFT study.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 6, p. 1, doi. 10.1007/s00894-014-2294-5

By:

Elkechai, Aziz;
Kias, Farida;
Talbi, Fazia;
Boucekkine, Abdou

Publication type:

Article

In-silico design novel phenylsulfonyl furoxan and phenstatin derivatives as multi-target anti-cancer inhibitors based on 2D-QSAR, molecular docking, dynamics and ADMET approaches.

Published in:

Molecular Simulation, 2024, v. 50, n. 6, p. 470, doi. 10.1080/08927022.2024.2326180

By:

Guendouzi, Abdelmadjid;
Belkhiri, Lotfi;
Djelti, Farah;
Zendaoui, Zineddine Mohamed;
Brahim, Houari;
Guendouzi, Abdelkrim;
Djekoun, Abdelhamid;
Boucekkine, Abdou

Publication type:

Article

Triarylisocyanurate‐Based Fluorescent Two‐Photon Absorbers.

Published in:

ChemPlusChem, 2020, v. 85, n. 3, p. 411, doi. 10.1002/cplu.202000036

By:

Gautier, Yohan;
Argouarch, Gilles;
Malvolti, Floriane;
Blondeau, Benjamin;
Richy, Nicolas;
Amar, Anissa;
Boucekkine, Abdou;
Nawara, Krzysztof;
Chlebowicz, Katarzyna;
Orzanowska, Grażyna;
Dudek, Marta;
Matczyszyn, Katarzyna;
Samoc, Marek;
Blanchard‐Desce, Mireille;
Mongin, Olivier;
Waluk, Jacek;
Paul, Frédéric

Publication type:

Article

In Situ Calculation of the Rotation Barriers of the Methyl Groups of Tribromomesitylene Crystals: Theory Meets Experiment.

Published in:

Crystals (2073-4352), 2024, v. 14, n. 6, p. 563, doi. 10.3390/cryst14060563

By:

Amar, Anissa;
Zeroual, Soria;
Rocquefelte, Xavier;
Boucekkine, Abdou

Publication type:

Article

Asymmetrical 1,3-Bis(heteroazolyl)benzene Platinum Complexes with Tunable Second-Order Non-Linear Optical Properties.

Published in:

European Journal of Inorganic Chemistry, 2016, v. 2016, n. 29, p. 4774, doi. 10.1002/ejic.201600675

By:

Dang, Tung T.;
Soulé, Jean‐François;
Doucet, Henri;
Benmensour, Mohamed Ali;
Boucekkine, Abdou;
Colombo, Alessia;
Dragonetti, Claudia;
Righetto, Stefania;
Jacquemin, Denis;
Boixel, Julien;
Guerchais, Véronique

Publication type:

Article

Synthesis, Crystal Structures, Linear and Nonlinear Optical Properties, and Theoretical Studies of (p-R-Phenyl)-, (p-R-Phenylethynyl)-, and (E)-[2-(p-R-Phenyl)ethenyl]dimesitylboranes and Related Compounds.

Published in:

Chemistry - A European Journal, 2006, v. 12, n. 10, p. 2758, doi. 10.1002/chem.200501096

By:

Zheng Yuan;
Christopher D. Entwistle;
Jonathan C. Collings;
David Albesa-Jové;
Andrei S. Batsanov;
Judith A. K. Howard;
Nicholas J. Taylor;
Hanns Martin Kaiser;
Dieter E. Kaufmann;
Suk-Yue Poon;
Wai-Yeung Wong;
Christophe Jardin;
Sofiane Fathallah;
Abdou Boucekkine;
Jean-François Halet;
Todd B. Marder

Publication type:

Article

Two-Photon Absorption Cooperative Effects within Multi-Dipolar Ruthenium Complexes: The Decisive Influence of Charge Transfers.

Published in:

Molecules, 2022, v. 27, n. 5, p. 1493, doi. 10.3390/molecules27051493

By:

Durand, Nicolas;
Amar, Anissa;
Mhanna, Rana;
Akdas-Kiliç, Huriye;
Soppera, Olivier;
Malval, Jean-Pierre;
Boucekkine, Abdou;
Fillaut, Jean-Luc

Publication type:

Article

1,3,5-Triaryl-1,3,5-Triazinane-2,4,6-Trithiones: Synthesis, Electronic Structure and Linear Optical Properties.

Published in:

Molecules, 2020, v. 25, n. 22, p. 5475, doi. 10.3390/molecules25225475

By:

Rabouel, Ismaël;
Richy, Nicolas;
Amar, Anissa;
Boucekkine, Abdou;
Roisnel, Thierry;
Mongin, Olivier;
Humphrey, Mark G.;
Paul, Frédéric

Publication type:

Article

Structural and Optical Properties of Metal-Nitrosyl Complexes †.

Published in:

Molecules, 2019, v. 24, n. 20, p. 3638, doi. 10.3390/molecules24203638

By:

Daniel, Chantal;
Gourlaouen, Christophe;
Boucekkine, Abdou

Publication type:

Article

Insights into the Optical Properties of Triarylboranes with Strongly Electron‐Accepting Bis(fluoromesityl)boryl Groups: when Theory Meets Experiment.

Published in:

ChemPhotoChem, 2020, v. 4, n. 3, p. 173, doi. 10.1002/cptc.201900256

By:

Belaidi, Houmam;
Rauch, Florian;
Zhang, Zuolun;
Latouche, Camille;
Boucekkine, Abdou;
Marder, Todd B.;
Halet, Jean‐François

Publication type:

Article

Electronic Absorption, Emission and Two‐Photon Absorption Properties of Some Functional 1,3,5‐Triphenylbenzenes.

Published in:

ChemistrySelect, 2017, v. 2, n. 26, p. 8080, doi. 10.1002/slct.201701653

By:

Streatfield, Suzy L.;
Pradels, Claire;
Ndimba, Alphonsine Ngo;
Richy, Nicolas;
Amar, Anissa;
Boucekkine, Abdou;
Cifuentes, Marie P.;
Humphrey, Mark G.;
Mongin, Olivier;
Paul, Frédéric

Publication type:

Article

DFT study of two-photon absorption of octupolar molecules.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 9, p. N.PAG, doi. 10.1007/s00214-019-2494-2

By:

Amar, Anissa;
Boucekkine, Abdou;
Paul, Frédéric;
Mongin, Olivier

Publication type:

Article

Comprehensive approach to simulate vibrationally resolved phosphorescence spectra of gold(III) complexes using DFT including temperature effects.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 9, p. 1, doi. 10.1007/s00214-017-2135-6

By:

Ayache, Hayat;
Hammoutène, Dalila;
Fritsch, Emmanuel;
Elkechai, Aziz;
Boucekkine, Abdou;
Latouche, Camille

Publication type:

Article

A relativistic DFT study of magnetic exchange coupling in ketimide bimetallic uranium(IV) complexes.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 3, p. 1, doi. 10.1007/s00214-012-1151-9

By:

Meskaldji, Samir;
Zaiter, Abdellah;
Belkhiri, Lotfi;
Boucekkine, Abdou

Publication type:

Article