Jenna

Jenna

I am a chemist, artist, invertebrate enthusiast, budding botanist, and total mineralogy nerd! I am defiant of modern social media, so my website is my little corner of the internet.

Some Testing with xTB GOAT

I have recently been using xTB GOAT to infer conformations that lie at a global minimum of a potential energy surface for complexes involving lanthanides and ligands which are derivatives of carboxylic acid. I have a wide permutational space to…