6 papers
Theoretical determination of the binding energies of methanol and related species onto amorphous solid water ice
Aneesa Ahmad, Catherine Walsh, Stefan Vogt-Geisse +2
The formation and survival of complex organic molecules (COMs) in cold interstellar environments depends on their interactions with icy dust grain surfaces. Methanol, a key COM det…
Interstellar Formation of Thioethanal (CHCHS). Gas-Phase and Ice-Surface Mechanisms involving Secondary Sulfur Products
N. Rani, S. Vogt-Geisse, S. Bovino
The formation pathways of sulfur-bearing species in the interstellar medium are crucial to understand astrochemical processes in cold molecular clouds and to gain new insights abou…
CO Diffusion on Interstellar Amorphous Solid Water: A Computational Study
Francesco Benedetti, Mauro Satta, Tommaso Grassi +2
Surface chemistry on interstellar dust grains is recognized as a central component in astrochemical models, representing a plausible formation route for many of the observed comple…
CO Adsorption Sites on Interstellar Water Ices Explored with Machine Learning Potentials. Binding energy distributions and snowline
Giulia M. Bovolenta, Germán Molpeceres, Kenji Furuya +2
Context. Carbon monoxide (CO) is arguably the most important molecule for interstellar organic chemistry. Its binding to amorphous solid water (ASW) ice regulates both diffusion an…
High level ab initio binding energy distribution of molecules on interstellar ices: Hydrogen fluoride
Giulia Bovolenta, Stefano Bovino, Esteban Vöhringer-Martinez +3
The knowledge of the binding energy of molecules on astrophysically relevant ices can help to obtain an estimate of the desorption rate, i.e. the molecules residence time on the su…
A novel framework to study the impact of binding energy distributions on the chemistry of dust grains
T. Grassi, S. Bovino, P. Caselli +3
The evaporation of molecules from dust grains is crucial to understand some key aspects of the star- and the planet-formation processes. During the warm-up phase the presence of yo…