Publications ( 84 )


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)
Liquid Water: When Hyperpolarizability Fluctuations Boost and Reshape the Second Harmonic Scattering Intensities
Journal of Physical Chemistry Letters, vol. 14, p4158-4163 (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)
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)
First hyperpolarizability of water in bulk liquid phase: long-range electrostatic effects included via the second hyperpolarizability
Physical Chemistry Chemical Physics, vol. 24, p19463 - 19472 (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 Mounya Gharbi, Stéphane Chambert, Jean Rouillon, Abdul-Rahman Allouche, Baptiste Schindler, Isabelle Compagnon
Physical Chemistry Chemical Physics, vol. 24, p1016-1022 (2022)
O -Acetylated sugars in the gas phase: stability, migration, positional isomers and conformation
Oznur Yeni, Amira Mounya Gharbi, Stéphane Chambert, Jean Rouillon, Abdul-Rahman Allouche, Baptiste Schindler, Isabelle Compagnon
Physical Chemistry Chemical Physics (2022)
Determination of layer charge density in expandable phyllosilicates with alkylammonium ions: A combined experimental and theoretical assessment of the method
Bruno Lanson, Pierre Mignon, Mélusine Velde, Andreas Bauer, Martine Lanson, Nathaniel Findling, Carlos Perez del Valle
Applied Clay Science, vol. 229, p106665 (2022)
On-the-fly investigation of XUV excited large molecular ions using a high harmonic generation light source
Scientific Reports, vol. 12, p13191 (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)
Surface Chemistry of Gold Nanoparticles Produced by Laser Ablation in Pure and Saline Water
Anna Lévy, Manuel de Anda Villa, Gaétan Laurens, V. Blanchet, John D Bozek, Jérôme Gaudin, Emily Lamour, Stéphane Macé, Pierre Mignon, Aleksandar R Milosavljević, Christophe Nicolas, Minna Patanen, Christophe Prigent, Emmanuel Robert, Sébastien Steydli, Martino Trassinelli, Dominique Vernhet, Onni Veteläinen, David Amans
Langmuir (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)
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