Weathering influences the ice nucleation activity of microplastics
Microplastics are being increasingly detected in the atmosphere at altitudes relevant to
mixed-phase cloud formation. However, the extent to which microplastics, along with their …
mixed-phase cloud formation. However, the extent to which microplastics, along with their …
Wetting of a dynamically patterned surface is a time-dependent matter
In nature and many technological applications, aqueous solutions are in contact with
patterned surfaces, which are dynamic over time scales spanning from ps to μs. For …
patterned surfaces, which are dynamic over time scales spanning from ps to μs. For …
[HTML][HTML] Topological graphs: a review of some of our achievements and perspectives in physical chemistry and homogeneous catalysis
S Bougueroua, Y Aboulfath… - Comptes …, 2024 - comptes-rendus.academie-sciences …
This paper reviews some of our developments in algorithmic graph theory, with some
applications in physical chemistry and catalysis. Two levels of granularity in the topological …
applications in physical chemistry and catalysis. Two levels of granularity in the topological …
A simplified method for theoretical sum frequency generation spectroscopy calculation and interpretation: The “pop model”
Existing methods to compute theoretical spectra are restricted to the use of time-correlation
functions evaluated from accurate atomistic molecular dynamics simulations, often at the ab …
functions evaluated from accurate atomistic molecular dynamics simulations, often at the ab …
[HTML][HTML] Effects of Surface Charge Distribution and Electrolyte Ions on the Nonlinear Spectra of Model Solid–Water Interfaces
KS Smirnov - Molecules, 2024 - mdpi.com
Molecular dynamics simulations of model charged solid/water interfaces were carried out to
provide insight about the relationship between the second-order nonlinear susceptibility χ …
provide insight about the relationship between the second-order nonlinear susceptibility χ …
On the Origin of Amphiphilic Interfaces
MB Jassar, S Pezzotti - 2025 - chemrxiv.org
Solid/water interfaces are classified based on macroscopic textbook definitions of
hydrophobicity and hydrophilicity. However, at the molecular level, increasing evidence …
hydrophobicity and hydrophilicity. However, at the molecular level, increasing evidence …