WIP Fix incorrect equations in Minnesota DB

[kylebystrom]

Hi, and thank you for curating this repository to make accessing DFT benchmark databases easier. I have been using ACCDB for some benchmarking projects and noticed that there appear to be some typos and incorrect chemical equations in the Minnesota database. This PR provides fixes, but I have specified it "work-in-progress" because I was not sure how to access the correct chemical equations, so I had to guess based on the names of the data points and whether the errors matched those in the supplementary info of the Minnesota 2015 papers. I think they are correct, but it would be great if someone with more familiarity with the MN2015 Database could double-check, or point me toward a resource that would allow me to double-check. Thank you!

[danieleongari]

Hi @kylebystrom,
is this still WorkInProgress?
Thanks for your check, and I would suggest to merge your modifications that broke also my pipeline, if you don't have further additions.

[kylebystrom]

Hi @danieleongari,
The reason I have it marked WIP is because I wasn't able to find the chemical equations for the original MN2015B database for the dissociation of functional groups from hydrocarbons (e.g. tBu-OCH3, Et-H, etc.), so I guessed them based on the values of the reaction energies. The numbers check out, but I want to find the original chemical equations to double check them before removing the WIP. It appears that the Minnesota website only has the geometries, not the equations, and now they only have the 2019 database on their website, not the 2015 one. @peverati do you have access to the original chemical equations for the 2015 database?