Profil

Abdul Rahman ALLOUCHE
Nom:
Name:
ALLOUCHE Abdul Rahman
Equipe(s):
Team(s):
  • Physicochimie théorique
Position:
Enseignant-chercheur
Bureau(x):
Office(s):
  • BRILLOUIN / 2ème / 12-015a
Mel:
Mail:
abdul-rahman.allouche@univ-lyon1.fr
Tél(s):
Phone(s):
  • 0787099194

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Theoretical study of the Ca + − He ionic system with spin–orbit coupling
Theoretical study of the Ca + − He ionic system with spin–orbit coupling
L Yandjah, O Smida, K Alioua, Abdul-Rahman Allouche, N Lamoudi, M Bouazza
Physica Scripta, vol. 99, p035410 (2024)
Conformational preferences of the flexible galactofuranose sugar in gas-phase
Conformational preferences of the flexible galactofuranose sugar in gas-phase
Oznur Yeni, Abdul-Rahman Allouche, Laurent Legentil, Vincent Ferrières, Isabelle Compagnon
Physical Chemistry Chemical Physics, vol. 25, p20373-20380 (2023)
Neural Network Approach for a Rapid Prediction of Metal-Supported Borophene Properties
Neural Network Approach for a Rapid Prediction of Metal-Supported Borophene Properties
Pierre Mignon, Abdul-Rahman Allouche, Neil Richard Innis, Colin Bousige
Journal of the American Chemical Society, vol. 145, p27857-27866 (2023)
On-the-fly investigation of XUV excited large molecular ions using a high harmonic generation light source
On-the-fly investigation of XUV excited large molecular ions using a high harmonic generation light source
Marius Hervé, Alexie Boyer, Richard Brédy, Abdul-Rahman Allouche, Isabelle Compagnon, Franck Lépine
Scientific Reports, vol. 12, p13191 (2022)
Tight Binding and Density Functional Theory of Tailoring Electronic Properties in Al1−xInxN/AlN/GaN High Electron Mobility Transistors (HEMTs)
Tight Binding and Density Functional Theory of Tailoring Electronic Properties in Al1−xInxN/AlN/GaN High Electron Mobility Transistors (HEMTs)
Meziani Abdelhakim, Abdul-Rahman Allouche, Telia Azzedine, Hilmi Unlu
, vol. 144, p669-707 (2022)
O -Acetylated sugars in the gas phase: stability, migration, positional isomers and conformation
O -Acetylated sugars in the gas phase: stability, migration, positional isomers and conformation
Oznur Yeni, Amira Gharbi, Stéphane Chambert, Jean Rouillon, Abdul-Rahman Allouche, Baptiste Schindler, Isabelle Compagnon
Physical Chemistry Chemical Physics (2022)
Insights into theoretical detection of CO2, NO, CO, O2, and O3 gases molecules using Zinc phthalocyanine with peripheral mono and tetra quinoleinoxy substituents: Molecular geometries, Electronic properties, and Vibrational analysis
Insights into theoretical detection of CO2, NO, CO, O2, and O3 gases molecules using Zinc phthalocyanine with peripheral mono and tetra quinoleinoxy substituents: Molecular geometries, Electronic properties, and Vibrational analysis
Marwa Chaabene, Bouzid Gassoumi, Raoudha Soury, Houcine Ghalla, Mahjoub Jabli, Rafik Ben Chaâbane, Abdul-Rahman Allouche
Chemical Physics, vol. 547, p111198 (2021)
Controlled ultrafast ππ*-πσ* dynamics in tryptophan-based peptides with tailored micro-environment
Controlled ultrafast ππ*-πσ* dynamics in tryptophan-based peptides with tailored micro-environment
Marius Hervé, A. Boyer, Richard Brédy, Isabelle Compagnon, Abdul-Rahman Allouche, Franck Lépine
Communications Chemistry, vol. 4 (2021)
Non long‐range corrected density functionals incorrectly describe the intensity of the C-H stretching band in polycyclic aromatic hydrocarbons
Non long‐range corrected density functionals incorrectly describe the intensity of the C-H stretching band in polycyclic aromatic hydrocarbons
Hugo Geindre, Abdul-Rahman Allouche, Daniel Peláez
Journal of Computational Chemistry (2021)
Infrared spectra of neutral polycyclic aromatic hydrocarbons based on machine learning potential energy surface and dipole mapping
Infrared spectra of neutral polycyclic aromatic hydrocarbons based on machine learning potential energy surface and dipole mapping
Gaétan Laurens, Malalatiana Rabary, Julien Lam, Daniel Peláez, Abdul-Rahman Allouche
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, vol. 140, p66 (2021)
Spectroscopic characterization and binding interaction of heavy metal onto the surface receptor of the azobenzene: DFT and experimental approach
Spectroscopic characterization and binding interaction of heavy metal onto the surface receptor of the azobenzene: DFT and experimental approach
Marwa Chaabene, Soumaya Agren, Jamal El Haskouri, Abdul-Rahman Allouche, Lahcini Mohamed, Rafik Ben Chaâbane, Mohamed Hassen V Baouab
Journal of Molecular Structure, vol. 1244, p130962 (2021)
Ion spectroscopy of heterogeneous mixtures: IRMPD and DFT analysis of anomers and conformers of monosaccharides
Ion spectroscopy of heterogeneous mixtures: IRMPD and DFT analysis of anomers and conformers of monosaccharides
Loïc Barnes, Abdul-Rahman Allouche, Stéphane Chambert, Baptiste Schindler, Isabelle Compagnon
International Journal of Mass Spectrometry, vol. 447, p116235 (2020)
Comparison of aluminum oxide empirical potentials from cluster to nanoparticle
Comparison of aluminum oxide empirical potentials from cluster to nanoparticle
Gaétan Laurens, David Amans, Julien Lam, Abdul-Rahman Allouche
Physical Review B, vol. 101, p045427 (2020)
Blue Highly Fluorescent Boranil Derived From Anil Ligand: Synthesis, Characterization, Experimental and Theoretical Evaluation of Solvent Effect on Structures and Photophysical Properties
Blue Highly Fluorescent Boranil Derived From Anil Ligand: Synthesis, Characterization, Experimental and Theoretical Evaluation of Solvent Effect on Structures and Photophysical Properties
Soumaya Agren, Marwa Chaabene, Abdul-Rahman Allouche, Rafik Ben Chaâbane, Mohamed Lahcinie, Mohamed Hassen V Baouab
Applied Organometallic Chemistry, vol. 34, pe5764 (2020)
Ab-initio study of the ground and low-lying excited states including the spin-orbit effect of RbBa molecule and laser cooling feasibility
Ab-initio study of the ground and low-lying excited states including the spin-orbit effect of RbBa molecule and laser cooling feasibility
Hela Ladjimi, Wissem Zrafi, Abdul-Rahman Allouche, Hamid Berriche
Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 252, p107069 (2020)
Combining Quantum Mechanics and Machine-Learning Calculations for Anharmonic Corrections to Vibrational Frequencies
Combining Quantum Mechanics and Machine-Learning Calculations for Anharmonic Corrections to Vibrational Frequencies
Julien Lam, Saleh Abdul-Al, Abdul-Rahman Allouche
Journal of Chemical Theory and Computation, vol. 16, p1681-1689 (2020)
Spectroscopic diagnostic for the ring-size of carbohydrates in the gas phase: furanose and pyranose forms of GalNAc
Spectroscopic diagnostic for the ring-size of carbohydrates in the gas phase: furanose and pyranose forms of GalNAc
Baptiste Schindler, Laurent Legentil, Abdul-Rahman Allouche, Vincent Ferrières, Isabelle Compagnon
Physical Chemistry Chemical Physics, vol. 21, p12460-12467 (2019)
Ab initio calculations of electronic structure of the BaCs molecule: adiabatic potential energy curves, spectroscopic constants, spin–orbit effect and permanent and transition electric dipole moments
Ab initio calculations of electronic structure of the BaCs molecule: adiabatic potential energy curves, spectroscopic constants, spin–orbit effect and permanent and transition electric dipole moments
H. Ladjimi, M. Farjallah, R. Mlika, Abdul-Rahman Allouche, H. Berriche
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, vol. 138, p56 (2019)
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