Authors: de Oca-Estevez, Maria Judit Montes; Darna, Beatriz; Garcia-Ruiz, Borja; Prosmiti, Rita; Gonzalez-Lezana, Tomas; Koner, Debasish
Journal: CHEMPHYSCHEM
Publication date: 2023/08/11
Abstract: The reactive collision between Ar-36 and the (ArH+)-Ar-36 species has been investigated by means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical quantum mechanical (SQM) approaches. Reaction probabilities, cross sections as a function of the energy and rate constants in terms of the temperature have been obtained. Cumulative distributions as a function of the collision time and the inspection of selected QCT corresponding to specific dynamical mechanisms have been analysed. Predictions by means of the SQM method are in good agreement with the QM results, thus supporting the complex-forming nature of the process.
