187 citations · 263 across the 3 of their papers we have counts for
3 papers
Insights into Dermal Permeation of Skin Oil Oxidation Products from Enhanced Sampling Molecular Dynamics Simulation
Rinto Thomas, Praveen Ranganath Prabhakar, Douglas J. Tobias +1
The oxidation of human sebum, a lipid mixture covering our skin, generates a range of volatile and semi-volatile carbonyl compounds that contribute largely to indoor air pollution…
The Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface
Marcel D. Baer, Abraham C. Stern, Yan Levin +2
We demonstrate that the driving forces for ion adsorption to the air-water interface for point charge models results from both cavitation and a term that is of the form of a negati…
Simulation and Theory of Ions at Atmospherically Relevant Aqueous Liquid-Air Interfaces
Douglas J. Tobias, Abraham C. Stern, Marcel D. Baer +2
Chemistry occurring at or near the surfaces of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming inc…