Reaction Coordinates mean what?
Posted: Wed Oct 18, 2023 10:50 am
Hi everyone,
Could please define and explain the reaction coordinates which includes on NEB plot after running CINEB, and what do mean you the values it has mentioned (reaction coordinate axis). Could please provide the references regarding the reactions coordinates for CINEB calculations except this (https://theory.cm.utexas.edu/vtsttools/neb.html).
Thank you.
Could please define and explain the reaction coordinates which includes on NEB plot after running CINEB, and what do mean you the values it has mentioned (reaction coordinate axis). Could please provide the references regarding the reactions coordinates for CINEB calculations except this (https://theory.cm.utexas.edu/vtsttools/neb.html).
Thank you.