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Brahim Oujia

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
2014 · Noureddine Issaoui, Houcine Ghalla, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 113
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
2016 · N. Issaoui, H. Ghalla, et al. · Journal of Molecular Structure · 97
Theoretical IR spectral density of H-bond in liquid phase: Combined effects of anharmonicities, Fermi resonances, direct and indirect relaxations
2007 · Najeh Rekik, Noureddine Issaoui, et al. · Journal of Molecular Liquids · 81
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
2007 · Najeh Rekik, Noureddine Issaoui, et al. · Journal of Molecular Structure THEOCHEM · 81
Theoretical infrared line shapes of H‐bonds within the strong anharmonic coupling theory and Fermi resonances effects
2009 · Noureddine Issaoui, Najeh Rekik, et al. · International Journal of Quantum Chemistry · 78
Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods
2013 · H. Ghalla, N. Issaoui, et al. · Journal of Molecular Structure · 77
Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid
2017 · N. Issaoui, H. Ghalla, et al. · Journal of Molecular Structure · 73
Anharmonic effects on theoretical IR line shapes of medium strong H(D) bonds
2008 · Noureddine Issaoui, Najeh Rekik, et al. · International Journal of Quantum Chemistry · 69
Infrared spectral density of H-bonds within the strong anharmonic coupling theory: Indirect relaxation effect
2007 · Najeh Rekik, Noureddine Issaoui, et al. · Journal of Molecular Structure · 69
Theoretical investigation of the relative stability of Na+Hen (n = 2–24) clusters: Many-body versus delocalization effects
2014 · Noureddine Issaoui, Kawther Abdessalem, et al. · The Journal of Chemical Physics · 66
Ab initio calculation of the electronic structure of the strontium hydride ion (SrH+)
2014 · Héla Habli, Leila Mejrissi, et al. · International Journal of Quantum Chemistry · 63
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
2007 · Najeh Rekik, Houcine Ghalla, et al. · Journal of Molecular Structure THEOCHEM · 62
Theoretical study of the CsH molecule: adiabatic and diabatic potential energy curves and dipole moments
2006 · W Zrafi, B Oujia, et al. · Journal of Physics B Atomic Molecular and Optical Physics · 48
Ab initioadiabatic and diabatic energies and dipole moments of the RbH molecule
2002 · Neji Khelifi, Wissem Zrafi, et al. · Physical Review A · 45
Ab initio study of spectroscopic properties of the calcium hydride molecular ion
2011 · H. Habli, H. Ghalla, et al. · The European Physical Journal D · 40
Polarized Infrared Spectra of the H(D) Bond in 2‐Thiophenic Acid Crystals: A Spectroscopic and Computational Study
2009 · Najeh Rekik, Houcine Ghalla, et al. · ChemPhysChem · 36
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Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3‐thiophenic acid crystal
2009 · Rekik Najeh, Ghalla Houcine, et al. · Journal of Computational Chemistry · 36
Theoretical study of the electronic structure of LiX and NaX (X = Rb, Cs) molecules
2011 · Riadh Dardouri, Khaled Issa, et al. · International Journal of Quantum Chemistry · 33
IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part II: Isotopic effect
2008 · Houcine Ghalla, Najeh Rekik, et al. · Journal of Molecular Structure THEOCHEM · 33
Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal
2009 · Houcine Ghalla, Najeh Rekik, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 32
Ab initio adiabatic and diabatic energies and dipole moments of the KH molecule
2002 · Neji Khelifi, Brahim Oujia, et al. · The Journal of Chemical Physics · 32
Ab Initio Adiabatic and Diabatic Energies and Dipole Moments of the CaH+ Molecular Ion
2011 · Héla Habli, Riadh Dardouri, et al. · The Journal of Physical Chemistry A · 31
Theoretical study of the MgAr molecule and its ion Mg+Ar: potential energy curves and spectroscopic constants
2011 · W. Gaied, H. Habli, et al. · The European Physical Journal D · 31
Theoretical infrared spectral density of H-bonds in liquid and gas phases: Anharmonicities and dampings effects
2008 · Najeh Rekik, Brahim Oujia, et al. · Chemical Physics · 31
Ab initio spectroscopic study for the NaRb molecule in ground and excited states
2014 · Maha Chaieb, Héla Habli, et al. · International Journal of Quantum Chemistry · 30
Works count: 85
Citation count: 1,920
H-index: 28
I10-index: 46
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