Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains
By accounting for the rate constants of the different elementary physico-chemical steps (diffusion, chemical reactions and desorption) we have identified that formation of acetaldehyde on water icy mantles is not so favourable as it is normally assumed.
leer más…Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models
Quantum chemical calculations help us investigating the adsorption of S-bearing species on a crystalline water ice model, highlighting the importance of dispersive forces in determining the strenght of their interaction.
leer más…Study of Fischer–Tropsch-type reactions on chondritic meteorites
We have found by experimental means that surfaces of chondritic meteorites catalyse Fischer-Tropsch (FT) reactions. By feeding the meteoritic samples with H2 and CO gases the typical FT products have been identified.
leer más…Ab Initio Computational Study on Fe2NiP Schreibersite: Bulk and Surface Characterization
The structural, energetic, and vibrational properties of bulk and surfaces of Fe2NiP Schrebersite, a P-containing mineral found in meteorites, have been characterized computationally.
leer más…H2 Formation on Interstellar Grains and the Fate of Reaction Energy
Ab initio molecular dynamics simulations show that the reaction of energy released by the H2 formation by H + H reaction is quickly absorbed in part by the ice surface, the remaining energy being used to promote H2 desorption.
leer más…Does Processing or Formation of Water Ice Mantles Affect the Capacity of Nanosilicates to Be the Source of Anomalous Microwave Emission?
Molecular simulations suggest that silicate nanoclusters with water either molecularly adsorbed or dissociated forming SiOH groups can be the responsible of the anomalous microwave emission (AME).
leer más…Formation of Interstellar Silicate Dust via Nanocluster Aggregation: Insights From Quantum Chemistry Simulations
Solid-state computational simulations reveal that aggregation of nanosized proto-silicates can result with the formation of silicates that present physico-chemical features of those present in the diffuse interstellar medium.
leer más…Interaction of HCO+ Cations With Interstellar Negative Grains. Quantum Chemical Investigation and Astrophysical Implications
Quantum chemical simulations indicate that adsorption of HCO+ on water ices containing entrapped electrons spontaneously forms radical HCO·, the energy of which can potentially lead to form H + CO.
leer más…Accurate 3D fireball trajectory and orbit calculation using the 3D-firetoc automatic Python code
We present an automatic meteor detection and analysis software called 3D-FireTOC. Recording these luminous events gives valuable information on the nature of asteroids and comets.
leer más…Computational Surface Modelling of Ices and Minerals of Interstellar Interest—Insights and Perspectives
The universe is molecularly rich, comprising from the simplest molecule (H2) to complex organic molecules (e.g., CH3CHO and NH2CHO), some of which of biological relevance (e.g., amino acids).
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