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Articles with keyword "DFT calculations"

    Anne Harrison-Marchand, Jean-Yves Valnot, Aline Corruble, Nicolas Duguet, Hassan Oulyadi, Stéphanie Desjardins, Catherine Fressigné and Jacques Maddaluno
    3-Aminopyrrolidine lithium amides as chiral ligands for alkyllithium derivatives: Synthesis, NMR analysis, and computational study of their mixed aggregates