30 citations · 37 across the 5 of their papers we have counts for
5 papers
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…
Direct evidence of jets emanating from droplets at the Rayleigh charge-induced instability point
Styliani Consta
Highly charged liquid droplets are unstable above the critical charge squared-to-volume ratio given by the Rayleigh limit. The instability leads to ion ejection from jets formed on…
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…
Dynamics of Proton Transfer in Mesoscopic Clusters
Styliani Consta, Raymond Kapral
Proton transfer rates and mechanisms are studied in mesoscopic, liquid-state, molecular clusters. The proton transfer occurs in a proton-ion complex solvated by polar molecules com…