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Water formation on interstellar silicates: the role of Fe2+/H2 interactions in the O + H2 → H2O reaction

Water formation on interstellar silicates: the role of Fe2+/H2 interactions in the O + H2 → H2O reaction

por Albert Rimola | Dic 5, 2022 | Publication

Water formation by reaction of H2 and O on silicate surfaces as a first step towards generation of interstellar ice mantles is possible thanks to the activation of H2 due to interacting with Fe2+ ions and accelerated by quantum tunnelling effects Water is the most...
Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles

Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles

por Albert Rimola | Oct 17, 2022 | Publication

Sulphur depletion is a long-standing problem in the astrochemical community and computational studies can help in discovering the behaviour of S-bearing species. The first step is understanding what happens to gas phase species when they adsorb on the grains, a...
Acetaldehyde binding energies: a coupled experimental and theoretical study

Acetaldehyde binding energies: a coupled experimental and theoretical study

por Albert Rimola | Sep 13, 2022 | Publication

This is a combined experimental and computational work focused on measuring and calculating binding energies of acetaldehyde, clarify how to reconcile theoretical BEs and experimental TPD data and finally to give astrochemical implications based on the previous...
Binding energy a defining factor for the adsorption of interstellar complex organic molecules on water ices

Binding energy a defining factor for the adsorption of interstellar complex organic molecules on water ices

por Albert Rimola | Sep 13, 2022 | Publication

Theoretical calculations shed light on the adsorption of some of the most common interstellar complex organic molecules on a crystalline water ice surface, underlining the contribution of dispersive forces in accurately describing the interactions in the adsorbate/ice...
Quantum Mechanical Simulations of the Radical–Radical Chemistry on Icy Surfaces

Quantum Mechanical Simulations of the Radical–Radical Chemistry on Icy Surfaces

por Albert Rimola | Sep 13, 2022 | Publication

The formation of interstellar complex organic molecules (iCOMs) has bee investigated adoting radical-radical coupling reactions on amorphous water ice, finding that many of these reactions do have an energy barrier due to the interaction of the radicals with the water...
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