B. Koa
barfi.koa@gmail.com
When I optimized a "H2O2" molecule on a cluster surface, it dissociated to 2 "OH"s which adsorbed on the cluster through the optimization process. Through this optimization process by Firefly the scf energies decrease and finally the job completes. Now, Can I be sure that there is not any transition state for H2O2 dissociation here ? I appreciate your help in advance.
Best Wishes
B. Koa
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