The reactive collision between 36 Ar and the 36 ArH+ 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.
Keywords: Astrophysical molecular processes; Quantum mechanical methods; Quasiclassical trajectory calculation; Reaction dynamics; Statistical quantum methods.
© 2023 The Authors. ChemPhysChem published by Wiley-VCH GmbH.