3 papers
astro-ph.GA2025
Ion-molecule routes towards cycles in TMC-1. An automated study of the C2H4 + CH2CCH+ reaction
María Mallo, Marcelino Agúndez, Carlos Cabezas +3
Cyclopentadiene (c-C5H6) is considered a key molecule in the formation of polycyclic aromatic hydrocarbons (PAHs) in the interstellar medium (ISM). The synthesis of PAHs from simpl…
astro-ph.GA2025
Piecing together formic acid isomerism in dark clouds. Detection of cis-formic acid in TMC-1 and astrochemical modeling
G. Molpeceres, M. Agúndez, M. Mallo +6
The presence of molecular isomers in interstellar environments has become a topic of growing interest within the astrochemical community. Contrary to predictions based on thermodyn…
physics.chem-ph2025
Delayed photoisomerisation of the trans-PSB3 retinal toy model using on-the-fly quantum dynamics
María Mallo, Susana Gómez-Carrasco, Sandra Gómez
We explore the trans-cis photoisomerisation process in a representative retinal protonated Schiff base known as trans-PSB3, employing the quantum dynamics method direct dynamics va…