MRD:dlk18
Intro
Exercise one
Transition state
On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
Locating the transition state:
rts estimated at 9.77 pm , 0 momentum for H atoms. Force is reported to be As the TS is symmetric, the internuclear distances should be equal and should remain stationary at the transition state. The plot of the Internuclear Distances vs Time” demonstrates this: equal distances between A-B and B-C . A-C is double A-B.
