# Week n+14¶

## Sunday 3/10¶

### What I did today:¶

• Plonked in the city and did some work on the derivatives section.

## Monday 4/10¶

### What I did today:¶

• Meeting with Katya resulted in me doing more calculations, which I think were actually really helpful. I ended up doing the point charge perturbative calculations that I suggested that I should do in my thesis, and they’ve actually proved really good for identifying what is caused by through bond, and what s electrostatic only.
• I’ve mostly spent my day just working on that section as a result though, which I really need to work on my benchmark stuff as well.

## Tuesday 5/10¶

### What I did today:¶

• It’s been a busy day working on the benchmarking section, and I’m still going. These’s a LOT to talk about, and I’ve just started to pick apart the processes.

## Wednesday 6/10¶

### What I did today:¶

• I decided to go and sit in the city and do some writing, and I worked on getting out the reaction benchmarking section. There’s still a little bit left to go, but I did add a few things of note.
• Namely, I looked into the correlation between transition bond length and barrier height, and I looked to see how much an increase in temperature would result in an ioncrease in rate.

## Thursday 7/10¶

### What I did today:¶

• Plonked in the city again to get some more writing done

• Okay, I just finished my first draft of the benchmarking section which has turned out to be 11 pages long, which considering it’s the pre-investigation, is pretty chunky. I guess it’s time to finally get to work on the “Relaxed $$\vec F$$” section, then hopefully I can just cull the discussion bits for Mike, and focus on my presentation.

## Friday 8/10¶

### What I did today:¶

• I’ve finally submitted my mid-year report, so I even though I haven’t finished the “Relaxed $$\vec F$$” section, I should really just start to work on my presentation.
• Well I’m working on my presentation, and it’s about as hard as I suspected it might be. I think it’s going to be a long weekend for me to get this done in time for Monday
• I think I have a basic plan/outline for my presentation now, I just need to flesh it out.

#### Writing Matrix¶

Section Status Notes In Progress
Abbreviations Later
Abstract To do
Intro Second draft done
Computational details First draft done
Reaction benchmarking First draft done
Static $$F_Y$$ First draft done
Static $$F_Z$$ First draft done
Static $$\varepsilon_r$$ First draft done more discussion tying together all of the static scans?
Efield Scans First draft done I’m not sure what else to add here, but it feels weak.
EDD maps First draft done perhaps needs a discussion of the implication of these mechanisms?
Relaxed $$\vec F$$ To do
Derivatives First draft done
Conclusion To do
Acknowledgements Later
Appendices Later/WIP should I add in lists of partial charges?