Display Abstract

Title Survival probability distributions of microcanonical reactant ensembles in X-CN isomerization reactions

Name Pablo L Garcia-Mueller
Country Spain
Email pablo.garcia.muller@gmail.com
Co-Author(s) Rosa Maria Benito Zafrilla and Florentino Borondo
Submit Time 2014-02-28 05:36:59
Session
Special Session 113: Normal forms and molecules in motion through phase space bottlenecks
Contents
The classical Hamiltonian dynamics of X-CN three atomic systems have been thoroughly investigated in the past showing an intricate mixture of chaotic and regular phase space structures. The motion in the irregular component is dominated by the stickiness of trajectories close to the boundary circles separating regular from irregular regions. This stickiness significantly affects statistical quantities like Poincar\'e recurrences and isomerization reaction rates which exhibits algebraic behaviors. In this work, finite-time numerical calculations of X--CN \leftrightharpoons CN--X isomerization reaction rates are carried out in order to assess possible universal non integer microcanonical reaction orders from the reactant decay laws.