الرئيسية › دليل الباحثين › Abdelkader Chouaıh
Abdelkader Chouaıh
الانتماء : Université de Mostaganem · University of Abou Bekr Belkaïd · Université de Saida Dr Moulay Tahar
- 127منشورات (انتماء جزائري)
- 203مجموع المنشورات
- 1746الاستشهادات
- 23مؤشر h
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إنشاء ملفي المجاني إضافة منشوراتيمجالات البحث
- Crystal structures of chemical compounds
- Crystallography and molecular interactions
- Nonlinear Optical Materials Research
- Crystal Structures and Properties
- Advanced Chemical Physics Studies
المنشورات (127)
- Molecular Structure, Theoretical and Experimental Vibrational Spectroscopy, NBO Investigation, RDG, IRI, AIM Analyses, and NLO Study of 1‐[(E)‐2‐(5‐chloro‐2‐hydroxyphenyl) Hydrazine‐1‐ylidene] Naphthalen‐2(1H)‐one
- DFT investigation of electronic structure, optical and photovoltaic properties of 1,2,3-triazole functionalized phthalocyanine derivatives
- Cyclodextrin-mediated protection and delivery of Esculetin: a combined DFT, TD-DFT, and docking investigation
- Effect of fluorine position on the structural, electronic, and docking properties of conjugated hydrazone and diazenium naphthalenone derivatives: experimental and computational insights
- Spectroscopic analysis, chemical reactivity, and nonlinear optical properties of (Z)-3-N-(methyl)-2-N’-(4-methoxyphenylimino) Thiazolidin-4-one: DFT/TD-DFT approach
- Design, synthesis, X-ray structure, Hirshfeld surface, and NLO behavior of 3-bromo-2-[(2E)-2-(2-oxonaphthalen 1(2H)-ylidene)hydrazinyl]benzoic acid
- Crystal growth, structural scrutiny, optical properties, Hirshfeld surface examination and DFT calculations of an organic NLO material −2,4,6-trinitrophenyl benzoate
- Ethnobotanical documentation and pharmacological potential of medicinal plants in relizane, Algeria
- Juniperus phoenicea L. Essential Oil from Ain El Orak (Algeria): Chemical Analysis by GC/MS, In Vitro Antioxidant and In Vivo/In Silico Gastroprotective and Hepatoprotective Effects
- Experimental and theoretical investigation of photoinduced electronic transitions and charge-transfer properties in a novel azo compound: (E)-1-((3-Methoxyphenyl)diazenyl)naphthalen-2-ol
- In silico-guided synthesis and cytotoxic evaluation of novel thiazolidin-4-one derivatives on glioblastoma cell lines
- Electronic Structure, Nonlinear Optical Response, and Non-Covalent Interactions in Bi-(2-Amino-5-Methylpyridinium) Hexachlorostannate: Experimental and DFT Investigation
- Atom‐in‐Molecule Analysis, Density Function Theory Research, Spectroscopy, Charge Transfer, and (Static, Dynamic) Nonlinear Optical Effects of (Z)4,4 ′ ‐Bis[‐3‐N‐Ethyl‐2‐N’‐(Phenylimino) Thiazolidin‐4‐One] Methane
- Synthesis, Spectroscopic Characterization, DFT Analysis, and Molecular Docking Studies of a Nitrosopiperidin-4-One Derivative Toward Antiviral Applications
- Synthesis, structural investigation, thermal behavior, hirshfeld analysis, DFT computation and molecular docking of a new magnesium diphenate coordination polymer
- Structural and electronic insights into vanillin sulfonates: a spectroscopic and DFT study
- Integrated experimental and computational study of a thiazolidinone hydrazone: Insights into reactivity, drug-likeness, and molecular docking behavior
- Computational, spectroscopic, and biological evaluation of a 2-naphthol-derived azo/hydrazone compound
- Synthesis, crystal structure, Hirshfeld surface analysis and halogen-involving interactions in a bromo/chloro-substituted Schiff base 1-(3-bromo-4,5-dimethoxyphenyl)- N -(2,4-dichlorophenyl)methanimine
- Sustainable Production of KOH‐Activated Microporous Carbon From Walnut Shell Biomass for the Adsorption of Cationic and Anionic Dye Pollutants
- Theoretical investigation, spectroscopic characterization, global chemical reactivity, nonlinear optical properties, and antioxidant activity of 2-(2,4-dimethoxybenzylidene)-hydrazono-1,2-diphenyl-ethanone
- Design, synthesis, characterization, NCI-RDG, Hirshfield surface analysis, chemical reactivity and quantum chemical calculations of Z-3-N-ethyl-2-N-[(2-methoxyphenyl) imino] thiazolidin-4-one
- Experimental and theoretical investigation of indole analogs as potential antibacterial agents: Design, synthesis, characterization, in-vitro bioevaluation, molecular docking and ADMET studies
- DFT-based investigation of structural, optoelectronic and molecular docking analysis of thiosemicarbazone derivatives
- Synthesis, crystal structure, Hirshfeld surface analysis and experimental and theoretical study of new azo compound methyl 2-{2-[( E )-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate
- Enhancing the antioxidant potential of a coumarin derivative via nickel complexation: synthesis, spectral insights, DFT analysis, and molecular docking
- Electrochemical and UV-visible spectroscopic investigation of anthranilic acid interaction with DNA
- In vitro evaluation of antioxidant and anti-inflammatory activities of Aristolochia clematitis L roots supported by computational investigation
- Crystallographic, hirshfeld surface, and DFT analyses of a fluorine–bromine schiff base: Insights into structural features and MAO-A binding potential
- Comprehensive in-vitro antibacterial and in-silico anti-viral evaluations of selected fluorinated-quinolone ligands and their Ag/Zn-based coordination polymers
- Synthesis, Structure, DFT Investigation, and In Silico Anticancer Activity of N‐(4‐Methoxyphenyl)‐N′‐Methyl Thiourea
- Structural and physicochemical properties of azo based materials for organic solar cell application: A DFT approach
- Mixed solvent crystal development, structural, spectral, theoretical insights, linear, and non-linear optical qualities of N,N′-diphenylguanidinium phthalate
- Design, Integrated Structural, and Theoretical Investigation of a Novel 4‐Fluoro‐thiazolidin‐4‐one Derivative Targeting Sirtuin‐1
- Removal of paraChlorophenoxyacetic acid and Linuron herbicides using pine cone-based activated carbon
- Synthesis, crystal structure, electronic properties, and molecular docking study of bis [5-imino-7-phenyl-5H-thiazolo[3,2-a] pyrimidine-6-carbonitrile]
- Synthesis, Characterization, Hirshfield Surface Analysis and DFT Calculation of (2Z,5Z)-3-(2-Methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(3-nitrobenzylidene)-1,3-thiazolidin-4-one
- Probing DCV5T-Me for Organic Photovoltaics: A Comprehensive DFT and NEGF Study
- Synthesis, Characterization, DFT Investigation and In Silico Anti-eczema Evaluation of a Novel Thiazolidinone Derivative
- Computational and Crystallographic Insights into 4,4'-Dibromo-2,5-dimethoxy-[1,1'-biphenyl]-2,5'-dione: DFT, Hirshfeld Surface, and Molecular Docking Studies
- Exploring Pyrimidine-Based azo Dyes: Vibrational spectroscopic Assignments, TD-DFT Investigation, chemical Reactivity, HOMO-LUMO, ELF, LOL and NCI-RDG analysis
- Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3-methoxybenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
- Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of (E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2(3H)-ylidene) benzo[4,5] imidazo [1,2-c] thiazole-1(3H)-thione
- Synthesis, Crystal Structure, Intermolecular Interactions, HOMO-LUMO, MEP, NLO Properties, and DFT/TD-DFT Investigation of (Z)-5-(4-Nitrobenzylidene)-3-N(3-Chlorophenyl)-2-Thioxothiazolidin-4-One
- DFT-Computational Modeling and TiberCAD Frameworks for Photovoltaic Performance Investigation of Copper-Based 2D Hybrid Perovskite Solar Absorbers
- Synthesis, structure, spectra, NLO behavior, and in-silico study on anti-tumor and anti-tuberculosis efficacy of (Z)-3-((Z)-3-phenylallylidene)benzo[4,5]imidazo[1,2-c]thiazole-1(3H)-thione
- Synthesis, structural analysis, and molecular docking of a novel 1,3,4-thiadiazole derivative: An experimental and molecular modeling studies
- Synthesis, crystal structure, Hirshfeld surface analysis, NCI-RDG, molecular docking, molecular dynamic simulations, and toxicity assessment of 2-((2, 4-dimethoxybenzylidene) hydrazono) -1, 2-diphenylethanone
- Electronic properties and nonlinear optical response of praziquantel hemihydrate and its derivatives: characterization via DFT, AIM, and RDG analysis
- In-depth Hirschfeld Surface Analysis, Interaction Energy, Molecular Docking, and DFT Investigations of Electronic Properties of 2,4-dimethyl-1-nitrobenzene
- DFT theoretical calculations on (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene) benzohydrazide as a methylene tetrahydrofolatereductase inhibitor: An in silico study, molecular docking, and molecular dynamics simulations
- Slow evaporation synthesis, crystal structure, DFT calculations, molecular docking, and pharmacokinetic studies of hexaaquazinc(II) dihydrogen benzene-1,2,4,5-tetracarboxylate
- Reduction of 2,4-dichlorophenoxy acetic acid herbicide toxicity from aqueous media by adsorption: Experimental and theoretical study using DFT method
- Theoretical investigations, Molecular Docking, ADMET analysis, Molecular Dynamic Simulation, and Drug-Likeness Scoring of (E)-1-[2-(3,4-Dimethylphenyl) Diazen-2-Ium-1-Yl] Naphthalen-2-Olate as a Corticosteroid Side-Chain-Isomerase Inhibitor
- Synthesis, crystal structure, Hirshfeld surface analysis, computational investigations and molecular docking studies of (Z)-3-N-(methyl)-2-N’-(4-methoxyphenylimino) thiazolidin-4-one dihydrate
- Development of a Starch-based Biocomposite Reinforced by Natural Fibers Extracted from Sawdust: Biodegradability Study
- Synthesis, Fluorescence Properties, Molecular Docking Studies, and Analysis of the Crystalline Structure of the Novel 5‐Imino‐7‐Aryl‐ 5 H‐Thiazolo[3.2‐a]Pyrimidine‐6‐Carbonitrile and Its Derivatives
- Quantum Chemical Study, In Silico ADMET Profile Analysis, Molecular Docking, and MD Simulation of 5-(Furan-2-ylmethylidene) thiazolo[3,4-a] benzimidazole-2-thione
- Investigations on Growth, Characterization, NCI-RDG, AIM, Molecular Docking and In-Silico ADME Properties of 1,2-Benzene Dicarboxylic Acid Anhydride
- Reactivity Study, NCI-RDG Analysis, Molecular Docking and ADMET Investigation of N-(4-Acetyl-5-(4-(nitro)phenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-N-phenyl Acetamide
- Investigation of a new benzo imidazothiazole derivative and their inhibition activity against myeloid leukemia 1 (Mcl-1): Synthesis, single-crystal X-ray structure, in silico study, and intermolecular interaction assessments using the DFT method
- Exploring the surface characteristics of hydrothermal synthesized X-zeolite at different temperatures through heated microscope-automatic image analyses
- Spectral investigation, TD-DFT study, Hirshfeld surface analysis, NCI-RDG, HOMO-LUMO, chemical reactivity and NLO properties of 1-(4-fluorobenzyl)-5-bromolindolin-2,3‑dione
- Microwave assisted synthesis, vibrational spectra, Hirshfeld surface and interaction energy, DFT, topology, in silico ADMET and molecular docking studies of 1,2-bis(4-methoxybenzylidene)hydrazine
- Conformation and vibrational spectroscopic analysis of 2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one (BFDP) by DFT method: A potent anti-Parkinson’s, anti-lung cancer, and anti-human infectious agent
- Synthesis, SC-XRD structure, spectroscopy, intermolecular interactions, DFT/TD-DFT investigation, and (static, dynamic) NLO properties of (2E,5Z)-3-(4-fluorophenyl)-2-(4-fluorophenylimino)-5-((E)-3-(2-nitrophenyl) allyliden) thiazolidin-4-one
- Synthesis, crystallographic and spectroscopic investigation, chemical reactivity, hyperpolarizabilities and in silico molecular docking study of (Z)-2N-(tert‑butylimino)-3N’-(4-methoxyphenyl) thiazolidin-4-one
- Investigation of photophysical and electronic properties of aurone derivatives: Insights from spectroscopic techniques and density functional theory calculations
- A theoretical investigation on hirshfeld surface, IR., UV–Vis, 1H and 13C NMR spectra, nonlinear optical properties, and in silico molecular docking of an organometallic compound: Dibromobis(l-proline)zinc(II)
- Insight into (Z)-ethyl-2-(2-((E)-2,4-dinitro benzylidene amino)-4-oxo-3-phenylthiazolidin-5-ylidene) acetate in-silico anti-SARS-CoV-2 performance: Synthesis, structural-spectral characterizations and DFT computations
- Electronic and NLO Performances of Benzohydrazide Derivatives: DFT Investigation and (RDG, AIM) Analysis
- Investigation of NLO properties and molecular docking of 3,5-dinitrobenzoic acid with some benzamide derivatives
- Charge Density Study, DFT Calculations, Hirshfield Surface Analysis and Molecular Docking of (Z)-3-N-(Ethyl)-2-N '-(3-methoxyphenyl imino) thiazolidine-4-one
- Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin-8-yloxyMethyl)-4H-1,2,4-Triazol-3-yl] Sulfanyl} Acetate
- Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2,6-bis(4-fluorophenyl)piperidin-4-one: A potent anti-Alzheimer agent
- Experimental and theoretical spectroscopic characterization, Hirshfield surface analysis, TD-DFT calculation, and nonlinear optical properties of (E)-1-[(2,4,6tribromophenyl)diazenyl]-naphthalen-2-ol azo dye
- Synthesis, crystal structure, Hirshfeld surface, energy framework, NCI-RDG, theoretical calculations and molecular docking of (Z)4,4′-bis[-3-N-ethyl-2-N'-(phenylimino) thiazolidin-4-one] methane
- Synthesis, structural determination, molecular docking and biological activity of 1-(4-fluorobenzyl)-5-bromolindolin-2,3-dione
- FTIR, NMR and UV–Visible Spectral Investigations, Theoretical Calculations, Topological Analysis, Chemical Stablity, and Molecular Docking Study on Novel Bioactive Compound: The 5-(5-Nitro Furan-2-Ylmethylen), 3- N -(2-Methoxy Phenyl),2- N ′- (2-Methoxyphenyl) Imino Thiazolidin-4-One
- Synthesis, structural, spectroscopic, intermolecular interactions, kinetic stability, charge transfer method with DNA bases and electronic properties of (E)-3-(2-ethoxyphenyl)-5-(3-(2-methoxyphenyl)-4methylthiazol-2(3H)-ylidene)-2-thioxothiazolidin-4-one: Computational and experimental approach
- Synthesis, Structural Characterization and Theoretical NLO Activity of N-(4-Acetyl-5-(4-(Nitro) Phenyl)-4,5-Dihydro-1,3,4-Thiadiazol-2-yl)-N-Phenyl Acetamide
- Structural characterization, molecular docking assessment, drug-likeness study and DFT investigation of 2-(2-{1,2-dibromo-2-[3-(4-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-2-fluoro-ethyl1}-phenyl)-methyl 3-methoxy-acrylic ester
- 2-thioxo -3N-(2-ethoxyphenyl) -5[4′-methyl -3′N-(2′-ethoxyphenyl) thiazol-2′(3′H)-ylidene] thiazolidin-4-one: Growth, spectroscopic behavior, single-crystal investigation, Hirshfeld surface analysis, DFT/TD-DFT computational studies and NLO evaluation
- Quantitative Structure-activity Relationship Studies and Nonlinear Optical Properties of 2-Phenylbenzofuran Derivatives: A Density Functional Theory Study
- Synthesis, crystal structure, vibrational spectral investigation, intermolecular interactions, chemical reactivity, NLO properties and molecular docking analysis on (E)-N-(4-nitrobenzylidene)-3-chlorobenzenamine: A combined experimental and theoretical study
- Synthesis, structural determination, Hirshfeld surface analysis, 3D energy frameworks, electronic and (static, dynamic) NLO properties of o-Nitroacetanilide (o-NAA): A combined experimental and quantum chemical study
- FT-IR, NMR and UV-Visible Spectral Investigations, Theoretical Calculations, Topological Analysis, Chemical Stablity and Molecular Docking Study on Novel Bioactive Compound: The 5-(5-Nitro Furan-2-Ylmethylen), 3-N-(2-Methoxy Phenyl),2-N’-(2-Methoxyphenyl) Imino Thiazolidin-4-One
- K- and Cu-doped CaTiO3-based nanostructured hollow spheres as alternative catalysts to produce fatty acid ethyl esters as potential biodiesel
- Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, reduced density gradient and nonlinear optical investigation on (E)-N'-(4-nitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide monohydrate: A combined experimental and DFT approach
- Experimental spectral characterization, Hirshfeld surface analysis, DFT/TD-DFT calculations and docking studies of (2Z,5Z)-5-(4-nitrobenzylidene)-3-N(2-methoxyphenyl)-2-N’(2-methoxyphenylimino) thiazolidin-4-one
- Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene)thiazolo[3,4-a]benzimidazole-2-thione
- Triflic Acid Functionalized Carbon@Silica Composite: Synthesis and Applications in Organic Synthesis; DFT Studies of Indeno[1,2‐b]indole
- Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N'-(2,4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
- Synthesis, PXRD structural determination, Hirshfeld surface analysis and DFT/TD-DFT investigation of 3N-ethyl-2N’-(2-ethylphenylimino) thiazolidin-4-one
- Synthesis, X-Ray Structure Determination and Related Physical Properties of Thiazolidinone Derivative by DFT Quantum Chemical Method
- DFT studies of disubstituted diphenyldithiophosphates of nickel(II): Structural and some spectral parameters
- Synthesis and evaluation of new isatin-aminorhodanine hybrids as PIM1 and CLK1 kinase inhibitors
- Synthesis, characterization and DFT studies of a palladium (ii) complex with bidentate Schiff base ligands
- 2-thioxo- 3N-(2-methoxyphenyl) −5 [4′-methyl -3′N -(2′-methoxyphenyl) thiazol-2′(3′H)-ylidene] thiazolidin-4-one: Synthesis, characterization, X-ray single crystal structure investigation and quantum chemical calculations
- Synthesis, characterization, single crystal X-ray and DFT analysis of disubstituted phosphorodithioates
المؤلفون المشاركون
- Nourdine Boukabcha
- Ayada Djafri
- Youcef Megrouss
- Rachida Rahmani
- Ahmed Djafri
- Nadia Benhalima
- Fodil Hamzaoui
- Ahlam Roufieda Guerroudj
- Zohra Douaa Benyahlou
- Salem Yahiaoui
- Nour El Houda Belkafouf
- Nawel Khelloul
البيانات البيبليوغرافية مصدرها OpenAlex (قاعدة مفتوحة).
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