Talk:MRD:Clarachong
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Great work! You gave excellent answers for the TS critique, referring to your own results to reinforce your claims and for the activation energies, clearly reporting raw data, methods and result. Here are some pointers for further improvement:
- TS properties: So, according to your definition of the TS, what is the difference between a TS and a maximum? The PES is a 2D object, so you can define two gradients and three curvatures. The distinguish between between maxima, minima and TSs you need to use curvatures in 2D. See whether you can come up with a new definition.
- Figures: Number your figures so you can refer to them in the text. Have a look at papers for correct formatting of zoom-ins and subplots.
- Polanyi's rules: You stated the rules correctly, but to discuss them you need to draw conclusions from your own data. Do the HHF trajectories you computed match with Polanyi's rules?
- Experimental verification of the release of vibrational energy: You seem to have forgotten this answer unfortunately.