Publications ( 68 )


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)
Novel Approach for Predicting Vertical Electron Attachment Energies in Bulk-Solvated Molecules
Matheus Kiataki, Márcio Varella, Kaline Coutinho, Franck Rabilloud
Journal of Chemical Theory and Computation (2024)
Experimental and Theoretical Investigations of the Fragmentation of Ethylenediamine Induced by Low-Energy (<10 eV) Electrons
Hassan Abdoul-Carime, Elena Lys, Jeanne Gipouloux, Franck Rabilloud
Molecules, vol. 29, p191 (2023)
How Accurately Can DFT Describe Non-valence Anions?
Guillaume Thiam, Franck Rabilloud
Journal of Chemical Theory and Computation, vol. 19, p2842-2849 (2023)
Effects of an external electric field on the electronic properties and optical excitations of germanane and silicane monolayers
F Zaabar, F Mahrouche, S Mahtout, Franck Rabilloud, K Rezouali
Journal of Physics: Condensed Matter, vol. 35, p175502 (2023)
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)
Inviting C5-Trifluoromethylated Pseudoprolines into Collagen Mimetic Peptides
Anaïs Terrien, Keyvan Rahgoshay, Emelyne Renaglia, Nathalie Lensen, Yves Jacquot, Rodrigue Marquant, Thierry Brigaud, Claire Loison, Grégory Chaume, E Miclet
Biomacromolecules, vol. 24, p1555-1562 (2023)
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
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)
Meziani Abdelhakim, Abdul-Rahman Allouche, Telia Azzedine, Hilmi Unlu
, vol. 144, p669-707 (2022)
Chemistry in Acetonitrile–Water Films Induced by Slow (<15 eV) Electrons: Application to the Earth and Space Chemistry
Hassan Abdoul-Carime, Guillaume Thiam, Franck Rabilloud, Florence Charlieux, Janina Kopyra
ACS Earth and Space Chemistry, vol. 6, p1126-1132 (2022)
Visualizing the transiently populated closed-state of human HSP90 ATP binding domain
Faustine Henot, Elisa Rioual, Adrien Favier, Pavel Macek, Elodie Crublet, Pierre Josso, Bernhard Brutscher, Matthias Frech, Pierre Gans, Claire Loison, Jérôme Boisbouvier
Nature Communications, vol. 13, p7601 (2022)
Coordination of Ethylamine on Small Silver Clusters: Structural and Topological (ELF, QTAIM) Analyses
Corinne Lacaze-Dufaure, Yann Bulteau, Nathalie Tarrat, David Loffreda, Pierre Fau, Katia Fajerwerg, Myrtil L Kahn, Franck Rabilloud, Christine Lepetit
Inorganic Chemistry, vol. 61, p7274–7285 (2022)
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)
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)
Rheology of sliding leaflets in coarse-grained DSPC lipid bilayers
Othmene Benazieb, Claire Loison, Fabrice Thalmann
Physical Review E, vol. 104, p054802 (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)
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)
Fragmentation of Nickel(II) and Cobalt(II) Bis(acetylacetonate) Complexes Induced by Slow (<10 eV) Electrons
Franck Rabilloud, Janina Kopyra, Hassan Abdoul-Carime
Inorganic Chemistry, vol. 60, p8154-8163 (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)
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