Publications ( 77 )

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)

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)

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)

Growth behavior and electronic and optical properties of IrGen (n = 1–20) clusters

Mustafa Lasmi, Sofiane Mahtout, Franck Rabilloud

Journal of Nanoparticle Research, vol. 23, p26 (2021)

Energy-Selective Decomposition of Organometallic Compounds by Slow Electrons: The Case of Chloro(dimethyl sulfide)gold(I)

Janina Kopyra, Franck Rabilloud, Paulina Wierzbicka, Hassan Abdoul-Carime

Journal of Physical Chemistry A, vol. 125, p966-972 (2021)

Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids

Janina Kopyra, Paulina Wierzbicka, Adrian Tulwin, Guillaume Thiam, Ilko Bald, Franck Rabilloud, Hassan Abdoul-Carime

International Journal of Molecular Sciences, vol. 22, p7676 (2021)

First hyperpolarizability of water at the air–vapor interface: a QM/MM study questions standard experimental approximations

Guillaume Le Breton, Oriane Bonhomme, P.F. Brevet, Emmanuel Benichou, Claire Loison

Physical Chemistry Chemical Physics, vol. 23, p24932-24941 (2021)

Multi-Basis-Set (TD-)DFT Methods for Predicting Electron Attachment Energies

Guillaume Thiam, Franck Rabilloud

Journal of Physical Chemistry Letters, vol. 12, p9995-10001 (2021)

Adsorption of Pharmaceuticals onto Smectite Clay Minerals: A Combined Experimental and Theoretical Study

Gwenaëlle Corbin, Emmanuelle Vulliet, Bruno Lanson, Albert Rimola, Pierre Mignon

Minerals, vol. 11, p62 (2021)

Covalent anchoring of atomically precise glutathione-protected gold nanoclusters on graphene oxide nanosheets

Franck Bertorelle, Srestha Basu, Hussein Fakhouri, Martina Perić Bakulić, Pierre Mignon, I. Russier-Antoine, P.F. Brevet, Sabu Thomas, Nandakumar Kalarikkal, Rodolphe Antoine

Nano Express, vol. 1, p030005 (2020)

Cobalt(II), Nickel(II) and Zinc(II) complexes based on DHA: Synthesis, X-ray crystal structure, antibacterial activity and DFT computational studies

Amel Marir, Toma Nardjes Mouas, Barkahem Anak, Erwann Jeanneau, Amel Djedouani, Louisa Aribi-Zouioueche, Franck Rabilloud

Journal of Molecular Structure, vol. 1217, p128353 (2020)

Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations

Stefano Pantaleone, Albert Rimola, Javier Navarro-Ruiz, Pierre Mignon, Mariona Sodupe, Piero Ugliengo, Nadia Balucani

, vol. 12255, p502-512 (2020)

Decomposition of Bis(acetylacetonate)zinc(II) by Slow Electrons

Janina Kopyra, Franck Rabilloud, Hassan Abdoul-Carime

Inorganic Chemistry, vol. 59, p12788-12792 (2020)