185 citations · 928 across the 14 of their papers we have counts for
14 papers
Gas-phase formation routes of dimethyl sulfide in the interstellar medium
Gabriella Di Genova, Nadia Balucani, Luca Mancini +3
Context: Dimethyl sulfide (DMS; CHSCH) is an organosulfur compound that has been suggested as a potential biosignature in exoplanetary atmospheres. In addition to its tenta…
Quantum chemical computations of gas-phase glycolaldehyde deuteration and constraints to its formation route
F. Vazart, C. Ceccarelli, D. Skouteris +1
Despite the detection of numerous interstellar complex organic molecules (iCOMs) for decades, it is still a matter of debate whether they are synthesized in the gas-phase or on the…
Quantum mechanical simulations of the radical-radical chemistry on icy surfaces
Joan Enrique-Romero, Albert Rimola, Ceccarelli +3
The formation of the interstellar complex organic molecules (iCOMs) is a hot topic in astrochemistry. One of the main paradigms trying to reproduce the observations postulates that…
Theoretical computations on the efficiency of acetaldehyde formation on interstellar icy grains
Joan Enrique-Romero, Cecilia Ceccarelli, Albert Rimola +3
Interstellar grains are known to be important actors in the formation of interstellar molecules such as H, water, ammonia, and methanol. It has been suggested that the so-calle…
A Computational Study of the Reaction Cyanoacetylene and Cyano Radical leading to 2-Butynedinitrile and Hydrogen Radical
Emília Valença Ferreira de Aragão, Noelia Faginas-Lago, Marzio Rosi +3
The present work focuses on the characterization of the reaction between cyanoacetylene and cyano radical by electronic structure calculations of the stationary points along the mi…
Gas-phase formation of acetaldehyde: review and new theoretical computations
Fanny Vazart, Cecilia Ceccarelli, Nadia Balucani +2
Among all the interstellar complex organic molecules (iCOMs), acetaldehyde is one of the most widely detected species. The question of its formation route(s) is, therefore, of a ma…