Abdou Boucekkine

Centre National de la Recherche Scientifique — France

Materials Science · Physical Sciences

29h-index3.0kcitations265works3.62yr avg
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Research Topics

Crystallization and Solubility Studies(107), X-ray Diffraction in Crystallography(107), Nonlinear Optical Materials Research(30), Advanced Chemical Physics Studies(27), Magnetism in coordination complexes(26)

Publications265 total

Synthesis, Characterization, Magnetic Properties, and DFT Investigations of Heterobimetallic Nickel–Lanthanide LNi<sup>II</sup>Ln<sup>III</sup> (Ln = Ce, Gd, Tb, Dy) Complexes Supported by Schiff Base Ligands
European Journal of Inorganic Chemistry·2025· 2 citedOpen Access
Density functional theory investigations of the electronic structure and magnetic properties of transition metal MII/GdIII complexes (M = Co and Cu)
Computational and Theoretical Chemistry·2025
Density Functional Theory Investigations of the Electronic Structure and Magnetic Properties of Transition Metal Mii/Gdiii Complexes (M = Co and Cu)
SSRN Electronic Journal·2025Open Access
Identification of tuberculosis inhibitors through QSAR-based virtual screening and molecular dynamics simulation of novel pyrimidine derivatives
Journal of the Indian Chemical Society·2024· 10 citedOpen Access
In Situ Calculation of the Rotation Barriers of the Methyl Groups of Tribromomesitylene Crystals: Theory Meets Experiment
Crystals·2024Open Access
Exchange Couplings and Magneto‐Structural Correlations of Trinuclear M<sup>II</sup>‐U<sup>IV</sup>‐M<sup>II</sup> (M<sup>II</sup>=Co, Ni, Cu) Complexes
European Journal of Inorganic Chemistry·2024· 2 citedOpen Access
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
Molecular Simulation·2024· 11 citedOpen Access
New insights into the reactivity of the triscyclopentadienyl monothiolate uranium(IV) complexes: CS2 and CO2 insertion and redox properties. A DFT theoretical approach
Journal of Organometallic Chemistry·2023Open Access
Linear and Nonlinear Optical Properties of Quadrupolar Bithiophenes and Cyclopentadithiophenes as Fluorescent Oxygen Photosensitizers
Photochem·2023· 4 citedOpen Access
Electronic Structure and Magneto-Structural Correlations Study of Cu<sub>2</sub>UL Trinuclear Schiff Base Complexes: A 3d–5f–3d Case
The Journal of Physical Chemistry A·2023· 5 citedOpen Access
CCDC 2080721: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2080718: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2080720: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
CCDC 2080719: Experimental Crystal Structure Determination
The Cambridge Structural Database·2022Open Access
Host–guest binding selectivity of ethylated pillar[5]arene (EtP5A) towards octane, 1,7-octadiene, and 1,7-octadiyne: a computational investigation
Structural Chemistry·2022· 5 cited
Host-Guest Binding Selectivity of Ethylated Pillar[5]arene (EtP5A) towards Octane, 1,7-Octadiene, and 1,7-Octadiyne: A Computational Investigation
Research Square (Research Square)·2022· 1 citedOpen Access
Electronic Absorption, Emission, and Two-Photon Absorption Properties of Some Extended 2,4,6-Triphenyl-1,3,5-Triazines
Photochem·2022· 3 citedOpen Access
Methyl Viologens of Bis‐(4’‐Pyridylethynyl)Arenes – Structures, Photophysical and Electrochemical Studies, and their Potential Application in Biology
Chemistry - A European Journal·2022· 19 citedOpen Access
Two-Photon Absorption Cooperative Effects within Multi-Dipolar Ruthenium Complexes: The Decisive Influence of Charge Transfers
Molecules·2022· 2 citedOpen Access
How do structural factors determine the linear and non-linear optical properties of fluorene-containing quadrupolar fluorophores? A theoretical answer
New Journal of Chemistry·2022· 3 citedOpen Access
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Frequent Co-authors

Véronique Guerchais(14), Hubert Le Bozec(13), Lotfi Belkhırı(13), M. Ephritikhine(9), Anissa Amar(8), Camille Latouche(8), Denis Jacquemin(7), J. A. Gareth Williams(7), Jean‐François Halet(6), Todd B. Marder(6), Alessia Colombo(6), Claudia Dragonetti(6), Dominique Roberto(6), Fatima Ibersiene(6), P. Thuéry(6), Andrei S. Batsanov(5), Julien Boixel(5), Isabelle Ledoux(5), Anu Singh(5), Thérèse Arliguie(5)