3 papers
physics.chem-ph2026
Ab Initio Characterization of C2H4N2 Isomers: Structures, electronic energies, spectroscopic parameters and formation pathways
Oko Emmanuel Godwin, Natalia Inostroza, Diego Mardones +4
This work presents a comprehensive theoretical investigation of key isomers of C2H4N2 using state-of-the-art quantum chemical methods. The objective is to characterize their molecu…
astro-ph.GA2025
Unmasking the physical information inherent to interstellar spectral line profiles with Machine Learning. I. Application of LTE to HCN and HNC transitions
Edgar Mendoza, Pietro Dall'Olio, Luciene S. Coelho +4
Physical and chemical conditions (kinetic temperature, volume density, molecular composition) of interstellar clouds are inherent in their mm-submm line spectra, making spectral li…
astro-ph.GA2025
New routes for PN destruction and formation in the ISM via neutral-neutral gas-phase reactions and an extended database for reactions involving phosphorus
Mateus X. Silva, Edgar Mendoza, Fábio S. L. Ferreira +5
Phosphorus plays an essential role in the chemistry of living organisms, being present in several fundamental biomolecules. The investigation of chemical reactions taking place in…