Browsing by Author "Franzese, Giancarlo"
Now showing items 1-2 of 2
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Structure and dynamics of water at carbon-based interfaces
(2017-03-21)
Article
Open AccessWater structure and dynamics are affected by the presence of a nearby interface. Here, first we review recent results by molecular dynamics simulations about the effect of different carbon-based materials, including ... -
Using Car-Parrinello simulations and microscopic order descriptors to reveal two locally favored structures with distinct molecular dipole moments and dynamics in ambient liquid water
(2022-10-15)
Article
Open AccessWater is essential for life and technological applications, mainly for its unique thermodynamic and dynamic properties, often anomalous or counterintuitive. These anomalies result from the hydrogen-bonds fluctuations, as ...
