Profil
Nom:
ALLOUCHE Abdul Rahman
Equipe(s):
- Physicochimie théorique
Position:
Enseignant-chercheur
Bureau(x):
- BRILLOUIN / 2ème / 12-015a
Mel:
abdul-rahman.allouche@univ-lyon1.fr
Tél(s):
- 0787099194
Theoretical study of the Ca + − He ionic system with spin–orbit coupling
Physica Scripta, vol. 99, p035410
(2024)
Neural Network Approach for a Rapid Prediction of Metal-Supported Borophene Properties
Journal of the American Chemical Society, vol. 145, p27857-27866
(2023)
Conformational preferences of the flexible galactofuranose sugar in gas-phase
Physical Chemistry Chemical Physics, vol. 25, p20373-20380
(2023)
On-the-fly investigation of XUV excited large molecular ions using a high harmonic generation light source
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)
, vol. 144, p669-707
(2022)
O -Acetylated sugars in the gas phase: stability, migration, positional isomers and conformation
Physical Chemistry Chemical Physics, vol. 24, p1016-1022
(2022)
O -Acetylated sugars in the gas phase: stability, migration, positional isomers and conformation
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
Chemical Physics, vol. 547, p111198
(2021)
Controlled ultrafast ππ*-πσ* dynamics in tryptophan-based peptides with tailored micro-environment
Communications Chemistry, vol. 4
(2021)
Infrared spectra of neutral polycyclic aromatic hydrocarbons based on machine learning potential energy surface and dipole mapping
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
Journal of Computational Chemistry
(2021)
Spectroscopic characterization and binding interaction of heavy metal onto the surface receptor of the azobenzene: DFT and experimental approach
Journal of Molecular Structure, vol. 1244, p130962
(2021)
Blue Highly Fluorescent Boranil Derived From Anil Ligand: Synthesis, Characterization, Experimental and Theoretical Evaluation of Solvent Effect on Structures and Photophysical Properties
Applied Organometallic Chemistry, vol. 34, pe5764
(2020)
Combining Quantum Mechanics and Machine-Learning Calculations for Anharmonic Corrections to Vibrational Frequencies
Journal of Chemical Theory and Computation, vol. 16, p1681-1689
(2020)
Ab-initio study of the ground and low-lying excited states including the spin-orbit effect of RbBa molecule and laser cooling feasibility
Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 252, p107069
(2020)