MedeA Transition State Search: Calculating Energy Barriers of Chemical Reactions and Diffusion Processes with Ease
Description: In this training session, learn
How to apply the various techniques of MedeA TSS to determine energy paths and find transitions states of simple and complex chemical reactions with multiple steps
The tips and tricks for the best use of MedeA TSS and MedeA VASP, respectively, to calculate accurate energy barriers in a reasonable amount of time
How to analyze and animate the results of MedeA TSS calculations
Tutorials:
Introduction to MedeA Transition State Search (TSS): Calculate the Activation Energy for the SN2 Gas-Phase Reaction Br- + CH3Cl ⇌ BrCH3+ Cl- - Learn how to MedeA TSS to investigate simple chemical reactions
Introduction to MedeA Transition State Search (TSS): Calculate the Migration Barrier of Boron in Silicon (pdf, zip) - Learn how to MedeA TSS to investigate diffusion processes
Dissociation Barrier of Ethane on Pt surface (pdf, zip): Learn how to efficiently identify the transition state of chemical reactions on surfaces with MedeA Transition State Search (TSS)
