Accueil › Annuaire des chercheurs › Brahim Oujia
Brahim Oujia
Affiliation : University of Jeddah
- 67Publications (affiliation tunisienne)
- 86Publications au total
- 1905Citations
- 27Indice h
Profil de recherche
Brahim Oujia compte 67 publications référencées (1991–2020). Ses travaux paraissent principalement dans « International Journal of Quantum Chemistry », « The Journal of Physical Chemistry A » et « Molecular Physics ». Son article le plus cité, « Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid m » (2014), a été cité 114 fois. 13 de ces publications datent des trois dernières années d’activité. Ses travaux sont cosignés avec au moins 12 chercheurs, notamment dans des établissements de France, Arabie saoudite, Pologne, Égypte.
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Créer mon profil gratuit Ajouter mes publicationsDomaines de recherche
- Advanced Chemical Physics Studies
- Molecular Spectroscopy and Structure
- Atomic and Molecular Physics
- Spectroscopy and Quantum Chemical Studies
- Crystallography and molecular interactions
Publications (67)
- Ab initio diabatic and adiabatic calculations for francium hydride FrH
- Spectroscopic proprieties of the ground and the higher excited states of the KCs
- Theoretical investigation of the van der Waals interaction in Ba 0,+,2+ He systems and the stability of Ba 2+ He n clusters
- Structures and relative stabilities of Na+Nen (n = 1–16) clusters via pairwise and DFT calculations
- Electronic, structural and vibrational properties of calcium monohydride
- Microsolvation of Ca2+ cation in small Xen clusters: Structures and relative stabilities
- Spectroscopic, vibrational and structural properties analysis of CaXen (n = 1–4) clusters
- Adiabatic and Diabatic Investigation of Numerous Electronic States for the Alkali Dimer FrNa
- Spectroscopic and structural investigation for the ground and excited states of CaNa+ molecular ion
- Charge transfer ionic character illustration for strontium hydride ion through a diabatic investigation
- Spectroscopic and electric dipole properties of the Van der Waals interaction between barium and krypton atoms
- Questioning the structure of Sr+Arn clusters
- Theoretical investigation of the electronic properties of alkali atoms interacting with helium rare gas using a pseudopotential approach
- Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid
- An adiabatic spectroscopic investigation of the CsRb system in ground and numerous excited states
- Spectroscopic ab initio investigation of the electronic properties of (SrK) +
- Theoretical investigation of the diatomic Van der Waals systems Ca + He and CaHe
- Potential energy curves determination and relative properties of NaSr+ molecular ion for the ground and several excited states
- Spectroscopic and electric dipole properties of Sr + Ar and SrAr systems including high excited states
- Diabatic investigation for the NaRb molecule
- Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking
- Ab initio investigation of the electronic and vibrational properties for the (CaLi)+ ionic molecule
- Theoretical study of the SrLi+ molecular ion: structural, electronic and dipolar properties
- Scaling analysis of self-assembled structures and related morphological information in epitaxial growth
- Theoretical model of infrared spectra of hydrogen bonds in molecular crystals of 2-thiopheneacetic acid: Fermi resonance and Davdov coupling effects.
- Ab initiostudy of Ba+Arn(n= 1–4) clusters: spectroscopic constants and vibrational energy levels
- Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and density functional theory
- Theoretical investigation of the relative stability of Na+Hen (n = 2–24) clusters: Many-body versus delocalization effects
- Ab initio calculation of the electronic structure of the strontium hydride ion (SrH+)
- Ab initio spectroscopic study for the NaRb molecule in ground and excited states
- Many-body effects on the structures and stability of Ba2+Xen (n = 1–39, 54) clusters
- Molecular structure and vibrational spectroscopic studies on 2-furanacetic acid monomer and dimer
- Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods
- One and Two-Electron Investigation of Electronic Structure for Ba+Xe and BaXe van der Waals Molecules in a Pseudopotential Approach
- Adiabatic ab Initio Study of the BaH+ Ion Including High Energy Excited States
- Ab Initio Diabatic energies and dipole moments of the electronic states of RbLi molecule
- Ab Initio Investigation of Electronic Properties of the Magnesium Hydride Molecular Ion
- A theoretical model for polarized infrared spectra of crystals of 2-naphthyl acetic acid in the OH-stretching region
- ChemInform Abstract: Theoretical Study of Strong and Moderate Hydrogen Bonds within the Linear Response Theory: A Review
- Theoretical Simulation of the Infrared Absorption Spectrum of the Strong Hydrogen and Deuterium Bond in 2-Pyridone Dimer
- Ab initio study of spectroscopic properties of the calcium hydride molecular ion
- Theoretical study of the electronic structure of LiX and NaX (X = Rb, Cs) molecules
- Theoretical study of the MgAr molecule and its ion Mg+Ar: potential energy curves and spectroscopic constants
- Ab Initio Adiabatic and Diabatic Energies and Dipole Moments of the CaH+ Molecular Ion
- Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments
- Theoretical study of the polarized infrared spectra of the hydrogen bond in 2‐furoic acid crystal dimer
- Theoretical study of hydrogen and deuterium bond in glutaric acid crystal dimer
- Potential energy curves, permanent and transition dipole moments for numerous electronic excited states of CaAr
- Theoretical infrared line shapes of H‐bonds within the strong anharmonic coupling theory and Fermi resonances effects
- Polarized Infrared Spectra of the H(D) Bond in 2‐Thiophenic Acid Crystals: A Spectroscopic and Computational Study
- Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3‐thiophenic acid crystal
- Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal
- Theoretical study of the electronic structure of LiNa and LiNa+ molecules
- Anharmonic effects on theoretical IR line shapes of medium strong H(D) bonds
- IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part II: Isotopic effect
- Theoretical infrared spectral density of H-bonds in liquid and gas phases: Anharmonicities and dampings effects
- Theoretical IR spectral density of H-bond in liquid phase: Combined effects of anharmonicities, Fermi resonances, direct and indirect relaxations
- IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part I: Anharmonic coupling parameter and temperature effects
- Infrared spectral density of H-bonds within the strong anharmonic coupling theory: Indirect relaxation effect
- Infrared spectral density of hydrogen bonds within the strong anharmonic coupling theory: Quadratic dependence of the angular frequency and the equilibrium position of the fast mode
- Dynamic Couplings, Radiative and Nonradiative Lifetimes of the A1Σ+ and C1Σ+ States of the KH Molecule
- Theoretical study of the CsH molecule: adiabatic and diabatic potential energy curves and dipole moments
- Evaluation of the adiabatic correction for LiH, RbH and CsH molecules
- Dynamic study: Radiative and nonradiative lifetimes for vibrational levels of the A 1∑+ and C 1∑+ states of the alkali hydride KH
- Ab initioadiabatic and diabatic energies and dipole moments of the RbH molecule
- Ab initio adiabatic and diabatic energies and dipole moments of the KH molecule
- Valence-electron correlation in extended systems: A nonparametric exponential transformation of molecular orbitals into valence-bond wave functions
Revues de publication
- International Journal of Quantum Chemistry × 9
- The Journal of Physical Chemistry A × 5
- Molecular Physics × 4
- The European Physical Journal D × 4
- Journal of Molecular Structure × 4
- Journal of Molecular Structure THEOCHEM × 4
Publications par année
- 20203
- 20194
- 20186
- 20177
- 20165
- 20151
- 20146
- 20137
- 20121
- 20117
Collaborations
Établissements partenaires : University of Monastir · King Abdulaziz University · Centre National de la Recherche Scientifique · Laboratoire Interdisciplinaire de Physique · Université Grenoble Alpes
Pays des co-auteurs : France · Arabie saoudite · Pologne · Égypte
Co-auteurs
- Houcine Ghalla
- Noureddine Issaoui
- Najeh Rekik
- Héla Habli
- Riadh Dardouri
- Leila Mejrissi
- Kawther Abdessalem
- Neji Khelifi
- Wissem Zrafi
- Khaled Issa
- W. Gaied
- Safa Mtiri
Données bibliographiques issues d’OpenAlex (base ouverte).
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