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Porphyrin and phthalocyanine heavy metal removal: overview of theoretical investigation for heterojunction organic solar cell applications
R Gara, MO Zouaghi, Y Arfaoui - Journal of Molecular Modeling, 2023 - Springer
Context Heavy metals are highly noxious, and their presence can cause diverse effects on
living organisms and the environment. Crown ether porphyrins and phthalocyanines are …
living organisms and the environment. Crown ether porphyrins and phthalocyanines are …
Novel Nonsymmetrically benzimidazolium salts and their silver (I)-N-heterocyclic carbene complexes: Synthesis, crystal structure, DFTstudies and anticancer activities
DB Salah, MO Zouaghi, S Hassen, Y Arfaoui… - Inorganica Chimica …, 2025 - Elsevier
Due to the success of Ag-NHCs in biological applications, interest in the synthesis and
applications of such compounds is increasing rapidly. Therefore, in this study, preparation …
applications of such compounds is increasing rapidly. Therefore, in this study, preparation …
Biological determination, molecular docking and Hirshfeld surface analysis of rhoduim (I)-N-heterocyclic carbene complex: synthesis, crystal structure, DFT …
The synthesis and characterization of 1-(isobutyl)-3-(2.3. 5.6 tetramethylbenzyl)-5.6-
dimethylbenzimidazolium chloride and its N-functionalized Rhodium (I) N-heterocyclic …
dimethylbenzimidazolium chloride and its N-functionalized Rhodium (I) N-heterocyclic …
Novel N-heterocyclic carbene silver (I) complexes: Synthesis, structural characterization, antimicrobial and cytotoxicity potential studies
In this study, a new series of 1-(2-ethylhexyl)-3-(alkyl)-5, 6-dimethylbenzimidazol-2-ylidene]
silver (I) complexes has been synthesized and investigated their in vitro antibacterial …
silver (I) complexes has been synthesized and investigated their in vitro antibacterial …
A cationic Co (II) coordination polymer 1∞[Co (µ-L)(µ-Cl)(H2O) 2]+ with the 4-amino-4H-1, 2, 4-triazole ligand: Structure, thermal behavior, and antimicrobial activity
We report a combined experimental and theoretical study on a Co (II) coordination polymer
1∞[Co (µ-L)(µ-Cl)(H 2 O) 2] Cl based on 4-amino-4H-1, 2, 4-triazole (L). Single crystal X-ray …
1∞[Co (µ-L)(µ-Cl)(H 2 O) 2] Cl based on 4-amino-4H-1, 2, 4-triazole (L). Single crystal X-ray …
Palladium (ii)/N-heterocyclic carbene (NHC) catalyzed direct C–H arylation of heteroarenes with different aryl bromides and chlorides
The growing interest of industry in the field of bi (hetero) arene compounds motivated us to
synthesize these compounds via a homogeneous catalytic route using Pd PEPPSI-type …
synthesize these compounds via a homogeneous catalytic route using Pd PEPPSI-type …
A computational characterization of N-heterocyclic carbenes for catalytic and nonlinear optical applications
M Alauddin, MM Islam - Zeitschrift für Naturforschung B, 2024 - degruyter.com
Very recently, N-heterocyclic carbenes (NHCs) have found a wide range of applications in
the fields of catalysis and nonlinear optics. Herein, we have employed 1, 3-bis-(1 (S)-benzyl) …
the fields of catalysis and nonlinear optics. Herein, we have employed 1, 3-bis-(1 (S)-benzyl) …
Mechanism of Silylation of Vinyl Arenes by Hydrodisiloxanes Driven by Stoichiometric Amounts of Sodium Triethylborohydride—A Combined DFT and Experimental …
The reactions of vinyl arenes with hydrodisiloxanes in the presence of sodium
triethylborohydride were studied using experimental and computational methods. The …
triethylborohydride were studied using experimental and computational methods. The …
Synthesis, characterization and computational study of the conjugated thiol-systems for self-assembled monolayers on gold electrode
In the present work, we examine the synthesis and characterization of the Π-conjugated
organic molecules applied to immobilize the laccase enzyme on gold electrode surfaces …
organic molecules applied to immobilize the laccase enzyme on gold electrode surfaces …
[PDF][PDF] A cationic Co (II) coordination polymer∞[Co (µ-L)(µ-Cl)(H2O) 2] with the 4-amino-4H-1, 2, 4-triazole ligand: structure, thermal behavior, and antimicrobial …
S Hassen, Y Arfaoui, Y Filinchuk, A Klein, H Chebbi - dial.uclouvain.be
We report a combined experimental and theoretical study on a Co (II) coordination polymer
1∞[Co (µ-L)(µ-Cl)(H2O) 2] Cl based on 4-amino-4H-1, 2, 4-triazole (L). Single crystal X-ray …
1∞[Co (µ-L)(µ-Cl)(H2O) 2] Cl based on 4-amino-4H-1, 2, 4-triazole (L). Single crystal X-ray …