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Derniers dépôts
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Brieuc Le Dé, Simon Huppert, Riccardo Spezia, Alex W. Chin. Extending Non-Perturbative Simulation Techniques for Open-Quantum Systems to Excited-State Proton Transfer and Ultrafast Non-Adiabatic Dynamics. Journal of Chemical Theory and Computation, 2024, 20 (20), pp.8749-8766. ⟨10.1021/acs.jctc.4c00666⟩. ⟨hal-04796864⟩
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Marian Powderly, Mélanie Roseau, Gilles Frison, Rayhane Hammami, Laetitia Chausset-Boissarie, et al.. Controlling Diastereoselectivity in Dearomatizing Diels-Alder Reactions of Nitroarenes with 2-Trimethylsilyloxycyclohexadiene. Chemistry - A European Journal, 2024, 30 (34), pp.e202303697. ⟨10.1002/chem.202303697⟩. ⟨hal-04785689⟩
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Mohamad Ibrahim, Jean-Claude Guillemin, Patrick Chaquin, Alexis Markovits, Lahouari Krim. The significant role of water in reactions occurring on the surface of interstellar ice grains: Hydrogenation of pure ketene H2C=C=O ice versus hydrogenation of mixed H2C=C=O/H2O ice at 10 K. Physical Chemistry Chemical Physics, 2024, Physical Chemistry Chemical Physics, 26 (5), pp.4200-4207. ⟨10.1039/d3cp04601j⟩. ⟨hal-04443301⟩
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Mohammad Ahmad, Marie-José Tranchant, Sébastien Comesse, Nathalie Saffon-Merceron, Julien Pilmé, et al.. Unlocking the C-centered ring-opening of phosphiranium ions for a straightforward entry to functionalized phosphines. Nature Communications, 2024, 15 (1), pp.8554. ⟨10.1038/s41467-024-53003-z⟩. ⟨hal-04723930⟩
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Ernesto Andrade-Collantes, Bruno Landeros-Rivera, Yudibeth Sixto-López, Ciresthel Bello-Rios, Julia Contreras-García, et al.. Molecular insight into endosulfan degradation by Ese protein from Arthrobacter : Evidence‐based structural bioinformatics and quantum mechanical calculations. Proteins - Structure, Function and Bioinformatics, 2023, 92 (2), pp.302-313. ⟨10.1002/prot.26610⟩. ⟨hal-04759432⟩
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