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Solvent and Salt Effect on Lithium Ion Solvation and Contact Ion Pair Formation in Organic Carbonates: A Quantum Chemical PerspectiveJournal of Physical Chemistry C, 2018, 122 (45), pp.25930-25939. ⟨10.1021/acs.jpcc.8b09892⟩
Journal articles
hal-01917194v1
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Using Implicit Solvent in Ab Initio Electrochemical Modeling: Investigating Li+/Li Electrochemistry at a Li/Solvent InterfaceJournal of Chemical Theory and Computation, 2015, 11 (7), pp.3375-3382. ⟨10.1021/acs.jctc.5b00170⟩
Journal articles
hal-01182468v1
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Li$^+$ Solvation in Pure, Binary, and Ternary Mixtures of Organic Carbonate ElectrolytesJournal of Physical Chemistry C, 2015, 119, pp.4502-4515. ⟨10.1021/jp511132c⟩
Journal articles
cea-01745404v1
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