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hal-00954590v1  Journal articles
Ali HassanaliJérôme CunyVincenzo VerdolinoMichele Parrinello. Aqueous solutions: state of the art in ab initio molecular dynamics
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Royal Society, The, 2014, 372, pp.20120482. ⟨10.1098/rsta.2012.0482⟩
hal-01121626v1  Journal articles
Jérôme CunyAli Hassanali. Ab Initio Molecular Dynamics Study of the Mechanism of Proton Recombination with a Weak Base
Journal of Physical Chemistry B, American Chemical Society, 2014, 118 (8), pp.13903-13912. ⟨10.1021/jp507246e⟩
hal-00860370v1  Journal articles
Ali HassanaliFederico GibertiJérôme CunyThomas D KühneMichele Parrinello. Proton transfer through the water gossamer.
Proceedings of the National Academy of Sciences of the United States of America , National Academy of Sciences, 2013, 110 (34), pp.13723-8. ⟨10.1073/pnas.1306642110⟩
hal-00869799v1  Journal articles
Michele CeriottiJérôme CunyMichele ParrinelloE. Manolopoulos. Nuclear quantum effects and hydrogen bond fluctuations in water
Proceedings of the National Academy of Sciences of the United States of America , National Academy of Sciences, 2013, 110 (39), pp.15591-15596. ⟨10.1073/pnas.1308560110⟩