Computational Chemistry, DFT, Fukui, TD-DFT, Theoretical Chemistry, White papers The HOMO-LUMO Gap in Open Shell Calculations. Meaningful or meaningless? September 27, 2018 — 14 Comments
Computational Chemistry, Theoretical Chemistry, White papers, Gaussian, Tricks, NMR Calculating NMR shifts – Short and Long Ways September 20, 2018 — 5 Comments
Dr. Joaquin Barroso's Blog 