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SOLUTION-PHASE INTERACTIONS

Beyond the typical role of solvent

Nature Chemistry volume 10, pages 899–900 (2018)Cite this article

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State-of-the-art quantum simulations predict that solvent molecules may partner with a solute in solution to form stable chemically distinct coordination species that interconvert from one to another. The solvent would thus be directly implicated in chemical reactions.

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Fig. 1: Sketch of the free energy profile of the sodium dimer in tetrahydrofuran predicted by mixed quantum-classical molecular dynamics.

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  1. Centre for Research in Molecular Modeling and Department of Chemistry and Biochemistry, Concordia University, Montreal, Quebec, Canada

    Gilles H. Peslherbe

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  1. Gilles H. Peslherbe
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Correspondence to Gilles H. Peslherbe.

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Peslherbe, G.H. Beyond the typical role of solvent. Nature Chem 10, 899–900 (2018). https://doi.org/10.1038/s41557-018-0130-8

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