30 citations · 37 across the 5 of their papers we have counts for
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From Spheres to Cones: Structural Instabilities and Acidity at Conical Regions in Trivalent Metal Ion Nano-clusters
Jihong Shi, Han Nguyen, Mateo Pescador Arboleda +1
Sub-nanometer aqueous clusters containing a single trivalent metal cation can exhibit charge-induced structural instabilities. Here, we present computational evidence that clusters…
Limitations of atomistic modeling to reveal ejection of proteins from charged nanodroplets
Victor Kwan, Pranav Ballaney, Titiksha +1
Molecular dynamics using atomistic modeling is frequently used to unravel the mechanisms of macroion release from electrosprayed droplets. However, atomistic modeling is currently…
Low density interior in supercooled aqueous nanodroplets expels ions to the subsurface
Shahrazad M. A. Malek, Victor Kwan, Ivan Saika-Voivod +1
The interaction between water and ions within droplets plays a key role in the chemical reactivity of atmospheric and man-made aerosols. Here we report direct computational evidenc…