25 citations · 43 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2022★ 18 cited
Effect of Sodium Chloride Adsorption on the Surface Premelting of Ice
Margaret L. Berrens, Fernanda C. Bononi, Davide Donadio
We characterise the structural properties of the quasi-liquid layer (QLL) at two low-index ice surfaces in the presence of sodium chloride (NaCl) ions by molecular dynamic…
physics.chem-ph2021★ 25 cited
UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning
Zekun Chen, Fernanda C. Bononi, Charles A. Sievers +2
Predicting UV-visible absorption spectra is essential to understanding photochemical processes and designing energy materials. Quantum chemical methods can deliver accurate calcula…