Reaction energies go Multiwavelet!
We have applied Multiwavelets (with the MRChem program) to metal-ligand interaction energies in our newest article, now available on ChemRxiv! The work was performed by CHOCO PhD student Anders Brakestad, in collaboration with the group of Prof. Luca Frediani. Our conclusions are clear: Avoid triple-zeta basis sets for energies, go multiwavelet instead!
Multiwavelets Applied to Metal-Ligand Interactions: Energies Free from Basis Set Errors
As in every manuscript, we have hidden at least one CO2 molecule in the text – can you find it?