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Physical Chemistry Chemical Physics : PCCP|February 19, 2019
Ionization and fragmentation of uracil upon microhydrationAbderrahmane Semmeq, Said Ouaskit, Antonio Monari, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 3, 2019
Ab Initio Study of the Stepwise versus Concerted Fragmentation Pathways in Microhydrated Thymine Radical CationsAbderrahmane Semmeq, Antonio Monari, Michael Badawi, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 9, 2020
DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water NanodropletsAbderrahmane Semmeq, Michael Badawi, Abdellatif Hasnaoui, et al.Chempluschem|October 12, 2021
Nucleic Acids under Stress: Understanding and Simulating Nucleobase Fragmentation PathwaysAbderrahmane Semmeq, Michael Badawi, Marie-Antoinette Dziurla, et al.Journal of Computational Chemistry|July 12, 2019
Electronic structure and optical properties of isolated and TiO2 -grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD-DFTSyrine Daoudi, Abderrahmane Semmeq, Michael Badawi, et al.The Journal of Physical Chemistry. B|December 20, 2016
Effect of Sodium Oxide Modifier on Structural and Elastic Properties of Silicate GlassHicham Jabraoui, Yann Vaills, Abdellatif Hasnaoui, et al.Molecules (Basel, Switzerland)|September 28, 2021
Adsorption of Toluene and Water over Cationic-Exchanged Y Zeolites: A DFT ExplorationEtienne P Hessou, Lucie A Bédé, Hicham Jabraoui, et al.Journal of Biomolecular Structure & Dynamics|August 6, 2021
In silico investigations of some Cyperus rotundus compounds as potential anti-inflammatory inhibitors of 5-LO and LTA4H enzymesFares Fenanir, Abderrahmane Semmeq, Yacine Benguerba, et al.Journal of Molecular Modeling|May 2, 2021
Investigation of tautomerism of 1,3,5-triazine derivative, stability, and acidity of its tautomers from density functional theoryLucie Affoue Bede, Alain Kouassi Koffi, Fred-Lawson Ekozias Digre Beke, et al.The Journal of Physical Chemistry. B|September 22, 2020
Structure-Elasticity Relationship of Potassium Silicate Glasses from Brillouin Light Scattering Spectroscopy and Molecular Dynamics SimulationsEl Mehdi Ghardi, Hicham Jabraoui, Michael Badawi, et al.Pageof 27