por Albert Rimola | Dic 12, 2025 | Publication
A realistic computational model demonstrates that silica-supported iron nanoclusters can act as effective astrocatalysts for Fischer–Tropsch-type reactions in space, enabling the formation of methanol, ethanol, and hydrocarbons at temperatures above 100 K by...
por Albert Rimola | Dic 12, 2025 | Publication
Quantum chemical calculations provide accurate binding energies and simulated infrared spectra for key molecules (like CO, CO₂, CH₃OH) adsorbed on water ice, serving as crucial reference data for interpreting observations from telescopes like JWST and understanding...
por Albert Rimola | Dic 12, 2025 | Publication
Computational studies reveal the formation of the detected interstellar molecule syn-glycolamide is feasible on icy grains through the low-barrier coupling of formamide and formaldehyde radicals followed by hydrogenation, with the anti-to-syn isomerization likely...
por Albert Rimola | Dic 12, 2025 | Publication
The binding energy distribution of methanol on interstellar ice grains, particularly a low-energy fraction (ca. 2%, 10 kJ mol⁻¹), enables its thermal desorption into the gas phase even in cold cosmic environments, resolving a long-standing observational challenge....
por Albert Rimola | Dic 12, 2025 | Publication
Theoretical simulations of the reaction of excited atomic sulfur (¹D) with water on an 18-molecule ice cluster reveal that the ice environment stabilizes novel products (H₂OS and HOSH) by dissipating energy and altering reaction pathways, demonstrating that gas-phase...
