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O -Acetylated sugars in the gas phase: stability, migration, positional isomers and conformation
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)
Determination of layer charge density in expandable phyllosilicates with alkylammonium ions: A combined experimental and theoretical assessment of the method
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
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
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)
Rheology of sliding leaflets in coarse-grained DSPC lipid bilayers
Rheology of sliding leaflets in coarse-grained DSPC lipid bilayers
Othmène 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
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
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
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
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
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
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
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)
Experimental and Theoretical Studies of Dissociative Electron Attachment to Metabolites Oxaloacetic and Citric Acids
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)
Energy-Selective Decomposition of Organometallic Compounds by Slow Electrons: The Case of Chloro(dimethyl sulfide)gold(I)
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)
First hyperpolarizability of water at the air–vapor interface: a QM/MM study questions standard experimental approximations
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
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
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
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)

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