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

Noureddine Issaoui, Houcine Ghalla, S. Muthu et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 105 citations

First Order Hyperpolarizability, Vibrational Spectra, Natural Sciences +5

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

Noureddine Issaoui, Houcine Ghalla, Fehmi Bardak et al. · Journal of Molecular Structure · 2016 · 94 citations

Molecular Docking, Medicinal Chemistry, Acrylic Acid +9

Theoretical IR spectral density of H-bond in liquid phase: Combined effects of anharmonicities, Fermi resonances, direct and indirect relaxations

Najeh Rekik, Noureddine Issaoui, Brahim Oujia et al. · Journal of Molecular Liquids · 2007 · 79 citations · Full text

Quantum Liquid, Fermi Resonances, Physics +10

Theoretical infrared line shapes of H‐bonds within the strong anharmonic coupling theory and Fermi resonances effects

Noureddine Issaoui, Najeh Rekik, Brahim Oujia et al. · International Journal of Quantum Chemistry · 2009 · 75 citations · Full text

Charge Excitations, Engineering, Spectra-structure Correlation +17

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

Najeh Rekik, Noureddine Issaoui, Houcine Ghalla et al. · Journal of Molecular Structure THEOCHEM · 2007 · 74 citations · Full text

Engineering, Physics, Natural Sciences +11