Talk:MRD:01058157
Feedback
Good work! Your explanations of TS theory and research around experimental verification of results were thorough. Here are nevertheless some pointers for further improvement:
- Answers to questions:
- Saddle point: You correctly identified that both first derivatives are zero. However, I'm confused as to why you are only speaking about a single curvature. Are you talking about the mixed derivative (d2f/dxdy)? In a 2D PES there are three different second derivatives. Consider that the TS is a minimax point. Does that help you come up with a mathematical definition of the saddle point?
- Energy distribution between vibrational and translational modes: You haven't shown any data. You always have to base your discussion on experimental data (or calculations in this case; a computational project does not relieve you from presenting data just because it can be trivial to generate) so other can judge and compare their data to yours.
- Eyring Theory: It is based on thermodynamical (statistical) arguments. Does it still apply here?
- Introduction:
- Aim to include an introduction to all your academic work. The gold standard is to allow a user who hasn't seen the lab script get up to speed. This means you need to motivate your work (why should I care?) and explain key concepts
- Conclusion:
- Similarly, provide a conclusion at the end. If your reader hasn't taken in any of your report, they should still be able to get the key facts from your conclusion. This means reporting key data, any unexpected results and comparisons with literature.
- Figures:
- Please label and number your figures/graphs. Your report made it clear which figure you were referring to at each point, but when you are writing more complicated (multi-column!) texts, you will need to number your figures and refer to them in the text by their number. --Bg1512 (talk) 15:56, 11 May 2017 (BST)