Are there any methods/programs for finding conversion barriers between two isomers?

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Sridhar Neelamraju

See http://pubs.rsc.org/en/Content/ArticleLanding/2012/CP/c1cp22446h#!divAbstract

I have discussed this in the sections 3.3 and 3.5 on probability flows and local density of states.

Best

Sridhar

Roman Leitsmann

If you know the geometry of the two isomers you can use a NEB (nudged elastic band) method to calculate the transition path. The NEB method is for example implemented in CP2K or Quantum Espresso.