128 citations · 840 across the 35 of their papers we have counts for
6 papers · 1 filter
Formation of phosphorus monoxide (PO) in the interstellar medium: insights from quantum-chemical and kinetic calculations
Juan García de la Concepción, Cristina Puzzarini, Vincenzo Barone +2
In recent years, phosphorus monoxide (PO) -- an important molecule for prebiotic chemistry -- has been detected in star-forming regions and in the comet 67P/Churyumov-Gerasimenko.…
Vibrational effects in the quantum dynamics of the H + D_2^+ charge transfer reaction
O. Roncero, V. Andrianarijaona, A. Aguado +1
The H + D_2^+(v=0,1 and 2) charge transfer reaction is studied using an accurate wave packet method, using recently proposed coupled diabatic potential energy surfaces. The state-t…
Gas phase Elemental abundances in Molecular cloudS (GEMS). IV. Observational results and statistical trends
M. Rodríguez-Baras, A. Fuente, P. Riviére-Marichalar +33
Gas phase Elemental abundances in Molecular CloudS (GEMS) is an IRAM 30m Large Program designed to estimate the S, C, N, and O depletions and gas ionization degree, X(e-), in a set…
Near-resonant effects in the quantum dynamics of the H+H H+ H charge transfer reaction and isotopic variants
Cristina Sanz-Sanz, Alfredo Aguado, Octavio Roncero
The non-adiabatic quantum dynamics of the H+H H+ H charge transfer reactions, and some isotopic variants, is studied with an accurate wave packet method…
Bottlenecks to interstellar sulfur chemistry: Sulfur-bearing hydrides in UV-illuminated gas and grains
J. R. Goicoechea, A. Aguado, S. Cuadrado +8
Hydride molecules lie at the base of interstellar chemistry, but the synthesis of sulfuretted hydrides is poorly understood. Motivated by new observations of the Orion Bar PDR - 1'…
Neural Network Potential Energy Surface for the low temperature Ring Polymer Molecular Dynamics of the H2CO + OH reaction
Pablo del Mazo-Sevillano, Alfredo Aguado, Octavio Roncero
A new potential energy surface (PES) and dynamical study are presented of the reactive process between H2CO + OH towards the formation of HCO + H2O and HCOOH + H. In this work a so…