| 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 … N Issaoui, H Ghalla, F Bardak, M Karabacak, NA Dlala, HT Flakus, B Oujia Journal of Molecular Structure 1130, 659-668, 2017 | 84 | 2017 |
| Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and … N Issaoui, H Ghalla, S Muthu, HT Flakus, B Oujia Spectrochimica acta part a: molecular and biomolecular spectroscopy 136 …, 2015 | 81 | 2015 |
| Theoretical IR spectral density of H-bond in liquid phase: combined effects of anharmonicities, Fermi resonances, direct and indirect relaxations N Rekik, N Issaoui, B Oujia, MJ Wójcik Journal of Molecular Liquids 141 (3), 104-109, 2008 | 75 | 2008 |
| Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid N Issaoui, H Ghalla, SA Brandán, F Bardak, HT Flakus, A Atac, B Oujia Journal of Molecular Structure 1135, 209-221, 2017 | 70 | 2017 |
| Theoretical infrared line shapes of H‐bonds within the strong anharmonic coupling theory and Fermi resonances effects N Issaoui, N Rekik, B Oujia, MJ Wójcik International Journal of Quantum Chemistry 110 (14), 2583-2602, 2010 | 68 | 2010 |
| Tunnelling measurements on YBa2Cu3O7 single crystals A Fournel, I Oujia, JP Sorbier, H Noel, JC Levet, M Potel, P Gougeon Europhysics Letters 6 (7), 653, 1988 | 68 | 1988 |
| 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 N Rekik, N Issaoui, H Ghalla, B Oujia, MJ Wójcik Journal of Molecular Structure: THEOCHEM 821 (1-3), 9-21, 2007 | 64 | 2007 |
| Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods H Ghalla, N Issaoui, M Govindarajan, HT Flakus, MH Jamroz, B Oujia Journal of Molecular Structure 1059, 132-143, 2014 | 57 | 2014 |
| Infrared spectral density of H-bonds within the strong anharmonic coupling theory: Indirect relaxation effect N Rekik, N Issaoui, H Ghalla, B Oujia, MJ Wójcik Journal of molecular structure 844, 21-31, 2007 | 54 | 2007 |
| Theoretical investigation of the relative stability of Na+ Hen (n= 2–24) clusters: Many-body versus delocalization effects N Issaoui, K Abdessalem, H Ghalla, SJ Yaghmour, F Calvo, B Oujia The Journal of Chemical Physics 141 (17), 2014 | 53 | 2014 |
| Anharmonic effects on theoretical IR line shapes of medium strong H (D) bonds N Issaoui, N Rekik, B Oujia, MJ Wójcik International Journal of Quantum Chemistry 109 (3), 483-499, 2009 | 51 | 2009 |
| Ab initio study of spectroscopic properties of the calcium hydride molecular ion H Habli, H Ghalla, B Oujia, FX Gadéa The European Physical Journal D 64, 5-19, 2011 | 48 | 2011 |
| 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 … N Rekik, H Ghalla, N Issaoui, B Oujia, MJ Wójcik Journal of Molecular Structure: THEOCHEM 821 (1-3), 58-70, 2007 | 48 | 2007 |
| Ab initio calculation of the electronic structure of the strontium hydride ion (SrH+) H Habli, L Mejrissi, N Issaoui, SJ Yaghmour, B Oujia, FX Gadéa International Journal of Quantum Chemistry 115 (3), 172-186, 2015 | 46 | 2015 |
| Theoretical study of the CsH molecule: adiabatic and diabatic potential energy curves and dipole moments W Zrafi, B Oujia, FX Gadea Journal of Physics B: Atomic, Molecular and Optical Physics 39 (18), 3815, 2006 | 46 | 2006 |
| Ab initio adiabatic and diabatic energies and dipole moments of the RbH molecule N Khelifi, W Zrafi, B Oujia, FX Gadea Physical Review A 65 (4), 042513, 2002 | 46 | 2002 |
| Ab initio adiabatic and diabatic energies and dipole moments of the KH molecule N Khelifi, B Oujia, FX Gadea The Journal of chemical physics 116 (7), 2879-2887, 2002 | 37 | 2002 |
| Ab Initio Adiabatic and Diabatic Energies and Dipole Moments of the CaH+ Molecular Ion H Habli, R Dardouri, B Oujia, FX Gadéa The Journal of Physical Chemistry A 115 (48), 14045-14053, 2011 | 35 | 2011 |
| Theoretical study of the electronic structure of LiX and NaX (X= Rb, Cs) molecules R Dardouri, K Issa, B Oujia, F Xavier Gadéa International Journal of Quantum Chemistry 112 (15), 2724-2734, 2012 | 34 | 2012 |
| Theoretical infrared spectral density of H-bonds in liquid and gas phases: Anharmonicities and dampings effects N Rekik, B Oujia, MJ Wójcik Chemical Physics 352 (1-3), 65-76, 2008 | 33 | 2008 |
