Physical and Theoretical Chemistry

Chemical Dynamics and Reaction Mechanisms

This session examines the time-resolved study of chemical reactions using theory and modeling. It will cover transition state theory, reaction path analysis, and dynamic simulations. Advanced topics include tunneling effects, energy transfer, and rare event sampling. Attendees will gain insights into real-time molecular collisions and rearrangements. Case studies span combustion, atmospheric reactions, and enzyme catalysis. The integration of spectroscopy with dynamics will also be discussed. The session brings mechanistic clarity to reactions in diverse chemical contexts.