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 | 76 | 2008 |
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 | 71 | 2010 |
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 | 69 | 2007 |
Explaining the structure of the OH stretching band in the IR spectra of strongly hydrogen-bonded dimers of phosphinic acid and their deuterated analogs in the gas phase: a … N Rekik, H Ghalla, G Hanna The Journal of Physical Chemistry A 116 (18), 4495-4509, 2012 | 63 | 2012 |
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 | 56 | 2009 |
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 | 55 | 2007 |
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 |
Polarized IR spectra of the hydrogen bond in 2-thiopheneacetic acid and 2-thiopheneacrylic acid crystals: H/D isotopic and temperature effects HT Flakus, N Rekik, A Jarczyk The Journal of Physical Chemistry A 116 (9), 2117-2130, 2012 | 45 | 2012 |
A mixed quantum-classical Liouville study of the population dynamics in a model photo-induced condensed phase electron transfer reaction N Rekik, CY Hsieh, H Freedman, G Hanna The Journal of chemical physics 138 (14), 2013 | 43 | 2013 |
Detailed Inspection of γ-ray, Fast and Thermal Neutrons Shielding Competence of Calcium Oxide or Strontium Oxide Comprising Bismuth Borate Glasses G Lakshminarayana, Y Elmahroug, A Kumar, HO Tekin, N Rekik, M Dong, ... Materials 14 (9), 2265, 2021 | 39 | 2021 |
Spectral density of H-bonds. II. Intrinsic anharmonicity of the fast mode within the strong anharmonic coupling theory N Rekik, A Velcescu, P Blaise, O Henri-Rousseau Chemical Physics 273 (1), 11-37, 2001 | 39 | 2001 |
Polarized Infrared Spectra of the H (D) Bond in 2‐Thiophenic Acid Crystals: A Spectroscopic and Computational Study N Rekik, H Ghalla, HT Flakus, M Jabłońska, P Blaise, B Oujia ChemPhysChem 10 (17), 3021-3033, 2009 | 33 | 2009 |
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 |
Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3‐thiophenic acid crystal R Najeh, G Houcine, HT Flakus, M Jablonska, O Brahim Journal of computational chemistry 31 (3), 463-475, 2010 | 31 | 2010 |
Elucidating the Davydov-coupling mechanism in hydrogen bond dimers: Experimental and theoretical investigation of the polarized IR spectra of 3-thiopheneacetic and 3 … N Rekik, HT Flakus, A Jarczyk-Jędryka, FA Al-Agel, M Daouahi, PG Jones, ... Journal of Physics and Chemistry of Solids 77, 68-84, 2015 | 29 | 2015 |
Effect of Substrate Temperature on (Micro/Nano) Structure of a-SiC: H Thin Films Deposited by Radio-Frequency Magnetron Sputtering. M Daouahi, N Rekik The Journal of Physical Chemistry C 116 (39), 21018-21026, 2012 | 29 | 2012 |
Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS2 Transition-Metal Dichalcogenides: A DFT Approach SA Yamusa, A Shaari, NAM Alsaif, IM Alsalamah, I Isah, N Rekik ACS omega 7 (49), 45719-45731, 2022 | 27 | 2022 |
IR spectral density of weak H-bonds involving quantum direct and indirect dampings. Beyond the adiabatic and harmonic approximations N Rekik, B Ouari, P Blaise, O Henri-Rousseau Journal of Molecular Structure 687 (1-3), 125-133, 2004 | 27 | 2004 |
IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part II: Isotopic effect H Ghalla, N Rekik, M Baazaoui, B Oujia, MJ Wójcik Journal of Molecular Structure: THEOCHEM 855 (1-3), 102-110, 2008 | 26 | 2008 |
Davydov coupling as a factor influencing the H-bond IR signature: Computational study of the IR spectra of 3-thiopheneacrylic acid crystal N Rekik, FA Al-Agel, HT Flakus Chemical Physics Letters 647, 107-113, 2016 | 25 | 2016 |