Talk:MRD:pc2715
Good work! Here is some advice to improve even further:
- TS properties: Your explanation is qualitatively correct. Can you now come up with a mathematical description using second derivatives?
- MEP: Do you realise that you can extend the timeframe of your simulation? At the moment you can't say anything about the outcome of the reaction because you haven't allowed for enough time. How does the MEP differ from a normal simulation mathematically?
- TS theory critique: The facts you stated are correct, but I would have liked to see more of your own interpretation. How do your own results compare with TS theory (especially trajectory #4 from the previous exercise)?
- F-H-H reaction: Every result you quote here needs to be argued from experimental evidence. That means you need to show screenshots for all the results you obtained. For example, I do not know how you calculated the activation energies; for all I know you could have invented those values. It becomes especially important when you reason about the validity of someone else's theory (like Polanyi's rules) as you will need to convince the reader that you are right in your reasoning. The more clearly you present your findings and show how you arrived at your conclusion from the experimental results you observed, the more likely they are to believe you.
- Release of energy: What is an actual physical experiment that allows us to measure the output of vibrational energy?