Accueil › Annuaire des chercheurs › Nadia Benhalima
Nadia Benhalima
Affiliation : Université de Saida Dr Moulay Tahar
- 32Publications (affiliation algérienne)
- 41Publications au total
- 488Citations
- 11Indice h
Profil de recherche
Nadia Benhalima compte 32 publications référencées (2011–2026). Ses travaux paraissent principalement dans « Journal of Molecular Structure », « ChemistrySelect » et « Talanta ». Son article le plus cité, « Theoretical and Experimental Electrostatic Potential around the m-Nitrophenol Molecule » (2015), a été cité 158 fois. 11 de ces publications datent des trois dernières années d’activité. Ses travaux sont cosignés avec au moins 12 chercheurs, notamment dans des établissements de Espagne, France.
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Créer mon profil gratuit Ajouter mes publicationsDomaines de recherche
- Nonlinear Optical Materials Research
- Advanced Chemical Physics Studies
- Crystallography and molecular interactions
- Crystal structures of chemical compounds
- Spectroscopy and Quantum Chemical Studies
Publications (32)
- 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
- Rational Design of Benzofuran‐Based mTOR Inhibitors for Head and Neck Cancer: A Synergistic 3D‐QSAR, Molecular Docking, and DFT Approach
- Theoretical investigation on structural, topological, electronic, optoelectronic, nonlinear optical (NLO) properties and in silico molecular docking of some quercetin derivatives
- A thiosemicarbazone derivative as a potential multi-target inhibitor: Molecular docking, DFT, QTAIM, and NLO investigation of thione and thiol tautomers
- DFT-Based Vibrational Spectroscopy, Electronic Structure and Nonlinear Optical Properties of a Pyridinylidene Benzamide with Dual Na+/K+-ATPase/SERCA2a Targeting Potential
- Structural, nonlinear optical, and molecular docking studies of schiff base compounds as multi-target inhibitors of AChE, BChE, and carbonic anhydrases
- Eco-engineered biochar from Cupressus sempervirens leaves for efficient removal of basic Fuchsin: Experimental and GPR_Bag modeling approach
- 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
- Synthesis, structural analysis, and molecular docking of a novel 1,3,4-thiadiazole derivative: An experimental and molecular modeling studies
- Electronic properties and nonlinear optical response of praziquantel hemihydrate and its derivatives: characterization via DFT, AIM, and RDG analysis
- 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
- 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
- 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
- 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
- Theoretical investigation on tautomerism and NLO properties of salicylideneaniline derivatives
- 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
- 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
- Quantum chemical investigation of spectroscopic, electronic and NLO properties of (1E, 4E)-1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one
- Etude de la structure moléculaire, la polarisabilité, l’hyper-polarisabilité et l’analyse HOMO–LUMO des structures monomères et dimères du N-(3-méthylphényl)-2-nitrobenzènesulfonamide C13H12N2O4S
- Spectroscopic (FT-IR,1H and 13C NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO)
- Conformational, spectroscopic and nonlinear optical investigations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one: a DFT study
- Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Thiazolidin-4-one derivative: (Z)-5-(4-Chlorobenzylidene)-3-(2-ethoxyphenyl)-2-thioxothiazolidin-4-one
- Solvent Effects on Molecular Structure, Vibrational Frequencies, and NLO Properties of N-(2,3-Dichlorophenyl)-2-Nitrobenzene–Sulfonamide: a Density Functional Theory Study
- Theoretical and Experimental Electrostatic Potential around the m-Nitrophenol Molecule
- Molecular Structure, Vibrational Assignments and Non-Linear Optical Properties of 4,4’ Dimethylaminocyanobiphenyl (DMACB) by DFT and ab Initio HF Calculations
- Determination of electrostatic parameters of a coumarin derivative compound C17H13NO3by x-ray and density functional theory
- Theoretical and X-ray diffraction studies of organic photovoltaic compounds
- Synthesis and Molecular Structure Investigation by DFT and X-Ray Diffraction of ARNO
- Charge density study of an nonlinear optical compound – a combined experimental and theoretical study
Revues de publication
- Journal of Molecular Structure × 3
- ChemistrySelect × 2
- Talanta × 2
- Canadian Journal of Physics × 2
- Optical and Quantum Electronics × 1
- Scientific Reports × 1
Publications par année
- 20265
- 20253
- 20243
- 20232
- 20223
- 20212
- 20202
- 20182
- 20172
- 20162
Collaborations
Établissements partenaires : Université de Mostaganem · Université Oran 1 Ahmed Ben Bella · Centre de Recherche Scientifique et Technique en Analyses Physico-Chimiques · Université Mustapha Stambouli de Mascara · Consejo Superior de Investigaciones Científicas
Pays des co-auteurs : Espagne · France
Co-auteurs
- Abdelkader Chouaıh
- Ayada Djafri
- Rachida Rahmani
- Nourdine Boukabcha
- Nawel Khelloul
- Fodil Hamzaoui
- Oumria Kourat
- Youcef Megrouss
- Ahmed Djafri
- Fatima Yahia Cherif
- Bendouma Doumi
- Khaled Toubal
Données bibliographiques issues d’OpenAlex (base ouverte).
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