ALLOUCHE Abdul Rahman
  • Physicochimie théorique
  • BRILLOUIN / 2ème / 12-015a
  • 0787099194
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)
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
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
Marius Hervé, Alexie Boyer, Richard Brédy, Isabelle Compagnon, Abdul-Rahman Allouche, Franck Lépine
Communications Chemistry, vol. 4 (2021)
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)
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)
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
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
Gaétan Laurens, David Amans, Julien Lam, Abdul-Rahman Allouche
Physical Review B, vol. 101, p045427 (2020)
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
Julien Lam, Saleh Abdul-Al, Abdul-Rahman Allouche
Journal of Chemical Theory and Computation, vol. 16, p1681-1689 (2020)
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)
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)
Meso-tetrakis(3,4,5-trimethoxyphenyl)porphyrin derivatives: Synthesis, spectroscopic characterizations and adsorption of NO2
Raoudha Soury, Marwa Chaabéne, Mahjoub Jabli, Tawfik Saleh, Rafik Ben Chaâbane, Eric Saint-Aman, Frédérique Loiseau, Christain Philouze, Abdul-Rahman Allouche, Habib Nasri
Chemical Engineering Journal, vol. 375, p122005 (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
H. Ladjimi, M. Farjallah, R. Mlika, Abdul-Rahman Allouche, H. Berriche
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, vol. 138, p56 (2019)
Effects of thiol ligands on the growth and stability of CdS nanoclusters
Sabah Nasraoui, Ghada Attia, Naim Bel Haj Mohamed, Rafik Ben Chaâbane, Abdul-Rahman Allouche
Journal of Molecular Structure, vol. 1198, p126832 (2019)
New zinc phthalocyanine derivatives for nitrogen dioxide sensors: A theoretical optoelectronic investigation
M. Chaabene, B. Gassoumi, Pierre Mignon, R. Ben Chaabane, Abdul-Rahman Allouche
Journal of Molecular Graphics and Modelling, vol. 88, p174-182 (2019)
On-the-Fly Femtosecond Action Spectroscopy of Charged Cyanine Dyes: Electronic Structure versus Geometry
Marius Hervé, Richard Brédy, Gabriel Karras, Bruno Concina, Jeffery Brown, Abdul-Rahman Allouche, Franck Lepine, Isabelle Compagnon
Journal of Physical Chemistry Letters, vol. 10, p2300-2305 (2019)
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