# 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? |