The next paper with me as a co-author just came out, actually: "Synthesis, Spectroscopy, and Computational Analysis of Photoluminescent Bis(aminophenyl)-Substituted Thiophene Derivatives" in collaboration with colleagues from the TU Vienna.
M06-2X proved to be a great functional for those substances and that state-specific PCM was superior to standard linear response PCM.
The next step will be to apply this methodology to a larger number of molecules.
On the absurdity of classified information - The problem with keeping information secret is not that secrecy is never warranted, it's that it is always easier to classify something as secret than not...
3 days ago