O. Roncero

activity

20112026

most citedGas phase Elemental abundances in Molecular cloudS (GEMS) I. The prototypical dark cloud TMC 1

128 citations · 840 across the 35 of their papers we have counts for

collaborators

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8 papers · 1 filter

physics.chem-ph2026

Quantitative Classical Relaxation Dynamics of Penning-Ionized He/Ne--H $_{2}^{+}$ /HD $^{+}$ Complexes

Meenu Upadhyay, Baruch Margulis, Octavio Roncero +3

Penning ionization allows {\it in situ} generation of ionic complexes to launch vibrational relaxation and dissociation dynamics for rare gas--H $_{2}^{+}$ /HD $^{+}$ complexes. The ensuing…

physics.chem-ph2026★ 1 cited

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH $_{2}^{+}$

Pablo del Mazo-Sevillano, Susana Gomez-Carrasco, Alfredo Aguado +1

Tracking the complex non-adiabatic transitions in far-ultraviolet photodissociation demands highly accurate diabatic potential energy matrices (PEMs) across numerous excited states…

physics.chem-ph2023★ 4 cited

Vibrational, non-adiabatic and isotopic effects in the dynamics of the H $_{2}$ + H $_{2}^{+}$ $\to$ H $_{3}^{+}$ + H reaction: application to plasma modeling

P. del Mazo-Sevillano, D. Félix-González, A. Aguado +3

The title reaction is studied using a quasi-classical trajectory method for collision energies between 0.1 meV and 10 eV, considering the vibrational excitation of H $_{2}^{+}$ reactant…

physics.chem-ph2022★ 7 cited

Spin-orbit transitions in the N $^{+}$ ( $^{3} P_{J_{A}}$ ) + H $_{2}$ $\to$ NH $^{+}$ ( $X^{2} Π$ , $^{4} Σ^{-}$ )+ H( $^{2} S$ ) reaction, using adiabatic and mixed quantum-adiabatic statistical approaches

Susana Gomez-Carrasco, Daniel Felix-Gonzalez, Alfredo Aguado +1

The cross section and rate constants for the title reaction are calculated for all the spin-orbit states of N $^{+}$ ( $^{3} P_{J_{A}}$ ) using two statistical approaches, one purely adiabati…

physics.chem-ph2021★ 3 cited

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…

physics.chem-ph2021★ 9 cited

Near-resonant effects in the quantum dynamics of the H+H $_{2}^{+}$ $\to$ H $_{2}$ + H $^{+}$ charge transfer reaction and isotopic variants

Cristina Sanz-Sanz, Alfredo Aguado, Octavio Roncero

The non-adiabatic quantum dynamics of the H+H $_{2}^{+}$ $\to$ H $_{2}$ + H $^{+}$ charge transfer reactions, and some isotopic variants, is studied with an accurate wave packet method…

physics.chem-ph2021★ 2 cited

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…

physics.chem-ph2011★ 1 cited

Revisiting Zeno's paradox: Flying arrows for atom-diatom reactions

C. Sanz-Sanz, A. S. Sanz, T. Gonzalez-Lezana +2

The possibility to observe quantum Zeno and anti-Zeno scenarios for atom-diatom reactive collisions is investigated for two diferent processes (F+HD and H+O_2) by means of time-dep…

Quantitative Classical Relaxation Dynamics of Penning-Ionized He/Ne--H2+​/HD+ Complexes

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH2+​

Vibrational, non-adiabatic and isotopic effects in the dynamics of the H2​ + H2+​ → H3+​ + H reaction: application to plasma modeling

Spin-orbit transitions in the N+(3PJA​​) + H2​ → NH+(X2Π, 4Σ−)+ H(2S) reaction, using adiabatic and mixed quantum-adiabatic statistical approaches