Gamallo Belmonte, PabloGonzález Pérez, MiguelSayós Ortega, RamónPetrongolo, Carlo2020-06-042020-06-0420030021-9606https://hdl.handle.net/2445/164322We present the quantum dynamics of the title reaction using the Gray-Balint-Kurti wave-packet (WP) method, several NO vibro-rotational levels, product coordinates, and an asymptotic analysis. We calculate accurate reaction probabilities at J=0, estimate those at J>0 via a capture model, and discuss the reaction mechanism analyzing the WP time evolution. We also obtain cross sections and rate constants. The potential is barrier-less and thus both probabilities and cross sections do not have a collision-energy (Ecol) threshold. The probabilities present many sharp resonances, due to the Ecol redistribution on the NNO-internal and N2-product degrees of freedom. The reaction is stereo-specific and occurs via a bent abstraction mechanism. The cross sections decrease with Ecol, in agreement with the expected behavior for threshold-less reactions. The present values of rate constant support previous and less accurate calculations, and are in excellent agreement with laboratory experimental data. This confirms the accuracy of the present 1 3A' PES.7 p.application/pdfeng(c) American Institute of Physics , 2003Reaccions químiquesMecànica ondulatòriaPertorbació (Dinàmica quàntica)Chemical reactionsWave mechanicsPerturbation (Quantum dynamics)info:eu-repo/semantics/article5217992020-06-04info:eu-repo/semantics/openAccess