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The Journal of Chemical Physics|September 22, 2011
Accurate time dependent wave packet calculations for the N + OH reactionNiyazi Bulut, Octavio Roncero, Mohamed Jorfi, et al.
Physical Chemistry Chemical Physics : PCCP|August 5, 2024
The temperature variation of the CH<sup>+</sup> + H reaction rate coefficients: a puzzle finally understood?Rafael A Jara-Toro, Octavio Roncero, François Lique
The Astrophysical Journal|September 8, 2018
Formation and Destruction of SiS in SpaceAlexandre Zanchet, Octavio Roncero, Marcelino Agúndez, et al.
The Journal of Chemical Physics|March 9, 2021
Neural network potential energy surface for the low temperature ring polymer molecular dynamics of the H<sub>2</sub>CO + OH reactionPablo Del Mazo-Sevillano, Alfredo Aguado, Octavio Roncero
The Journal of Chemical Physics|April 24, 2015
A comparative study of the Au + H₂, Au⁺ + H₂, and Au⁻ + H₂ systems: Potential energy surfaces and dynamics of reactive collisionsAnaís Dorta-Urra, Alexandre Zanchet, Octavio Roncero, et al.
The Journal of Physical Chemistry. A|September 24, 2019
Quantum Effects on the D + H<sub>3</sub><sup>+</sup> → H<sub>2</sub>D<sup>+</sup> + H Deuteration Reaction and Isotopic VariantsNiyazi Bulut, Alfredo Aguado, Cristina Sanz-Sanz, et al.
The Journal of Chemical Physics|December 11, 2013
Full dimensional potential energy surface for the ground state of H4(+) system based on triatomic-in-molecules formalismCristina Sanz-Sanz, Octavio Roncero, Miguel Paniagua, et al.
The Journal of Chemical Physics|December 24, 2015
Non-adiabatic couplings and dynamics in proton transfer reactions of Hn (+) systems: Application to H2+H2 (+)→H+H3 (+) collisionsCristina Sanz-Sanz, Alfredo Aguado, Octavio Roncero, et al.
The Journal of Chemical Physics|November 10, 2006
Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF--->OHF+e-Susana Gómez-Carrasco, Alfredo Aguado, Miguel Paniagua, et al.
The Journal of Chemical Physics|January 26, 2010
Potential energy surface and reactive collisions for the Au+H(2) systemAlexander Zanchet, Octavio Roncero, Salama Omar, et al.
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