Photofragmentation dynamics in small molecular systems (Maykel Marquez Mijares / LCAR / Seminar). – 24/06/22, 11H

Maykel Marquez Mijares (Instituto Superior de Tecnologías y Ciencias Aplicadas (InSTEC), Universidad de La Habana, Cuba)

Summary : The study of the predissociation dynamics of different complexes has been a topic of increasing interest in the last years. The continuous progress of the experimental techniques and the present computational performance have greatly allowed and contributed to this interest. The research efforts in this field have been addressed to an extensive variety of complexes, with some interests in the industry, health, atmospheric and interstellar sciences. In particular, the vibrational predissociation (VP) of systems composed of one or more atoms weakly bounds has received great attention. Using two different theoretical methodologies, the quasi-classical trajectories (QCT) and trajectory surface hopping (TSH) methods, we have studied the predissociation dynamics of some systems of interest such as (NO)2, CH3 and Br2-Rg (Rg=Ne,Ar).