Water formation on interstellar silicates: the role of Fe2+/H2 interactions in the O + H2 → H2O reaction
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
leer más…Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles
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 phenomenon described by the binding energies.
leer más…Acetaldehyde binding energies: a coupled experimental and theoretical study
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 points.
leer más…Binding energy a defining factor for the adsorption of interstellar complex organic molecules on water ices
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 systems.
leer más…Quantum Mechanical Simulations of the Radical–Radical Chemistry on Icy Surfaces
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 ice surfac, and that there are competitive channels involving the abstraction of an H atom from one radical to the other.
leer más…Analysis of superbolides recorded from space suggests interstellar and near-Earth objects as an important source of impact hazard
We have analyzed the superbolides recorded by the US Government satellite sensors. We found that ∼1/4 of the large fireballs detected from the space could be associated with near-Earth objects or meteoroid streams. The suspected interstellar rocky messenger exhibits a remarkably high tensile strength, indicating that only large or strong enough objects may survive the harsh interstellar medium.
leer más…Non-energetic formation of ethanol on the surface of icy grains: a computational study
Theoretical investigation of the reaction between the radical CCH and the icy surface of dust grains, leading to the formation of ethanol without the need of an external energy input.
leer más…A review of the primordial life of glycine from a computational perspective
A detailed review that focuses on computational works dealing with the formation of glycine in the interstellar medium, its transportation to the early Earth, and its conversion into peptides under prebiotic conditions.
leer más…Thermal Desorption of Interstellar Ices: A Review on the Controlling Parameters and Their Implications from Snowlines to Chemical Complexity
A detailed review dealing with binding energies and how to obtain them through thermal desorption techniques and quantum mechanical simulations for astrochemical purposes.
leer más…Water Interaction with Fe2NiP Schreibersite (110) Surface: a Quantum Mechanical Atomistic Perspective
The interaction of water, from one molecule to different coverages, on the most stable (110) surface of schreibersite (Fe2NiP), alongside different physico-chemcial properties of the interface, has been simulated computationally.
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