Hassan K. Khartabil

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Weiss R, Cornaton Y, Khartabil H, et al. (2022) Deciphering the Role of Noncovalent Interactions in the Conformations of Dibenzo-1,5-dichalcogenocines. Chempluschem. 87: e202100518
Khartabil H, Doudet L, Allart-Simon I, et al. (2020) Mechanistic insights into Smiles rearrangement. Focus on π-π stacking interactions along the radical cascade. Organic and Biomolecular Chemistry. 18: 6840-6848
Klein J, Khartabil H, Boisson JC, et al. (2020) A New Way for Probing Bond Strength. The Journal of Physical Chemistry. A
Lefebvre C, Khartabil H, Boisson JC, et al. (2017) Independent Gradient Model: a new approach for probing strong and weak interactions in molecules from wave function calculations. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Previtali V, Trujillo C, Boisson JC, et al. (2017) Development of the first model of a phosphorylated, ATP/Mg(2+)-containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design. Physical Chemistry Chemical Physics : Pccp
Lefebvre C, Rubez G, Khartabil H, et al. (2017) Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density. Physical Chemistry Chemical Physics : Pccp
Barberot C, Boisson J, Gérard S, et al. (2014) AlgoGen: A tool coupling a linear-scaling quantum method with a genetic algorithm for exploring non-covalent interactions Computational and Theoretical Chemistry. 1028: 7-18
Morar C, Sacalis C, Lameiras P, et al. (2013) Synthesis and stereochemistry of new 1,3-thiazolidine systems based on 2-amino-2-(mercaptomethyl)propane-1,3-diol: 4,4-bis(hydroxymethyl)-1,3-thiazolidines and c-5-hydroxymethyl-3-oxa-7-thia-r-1-azabicyclo[3.3.0]octanes Tetrahedron. 69: 9966-9985
Khartabil HK, Gros PC, Fort Y, et al. (2010) Metalation of pyridines with nBuLi-Li-aminoalkoxide mixed aggregates: The origin of chemoselectivity. Journal of the American Chemical Society. 132: 2410-6
Khartabil HK, Martins-Costa MT, Gros PC, et al. (2009) Structure of mixed alkyllithium/lithium alkoxide aggregates in ethereal solvents. Insights from combined QM/MM molecular dynamics simulations. The Journal of Physical Chemistry. B. 113: 6459-67