Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers
Tag: molecular orbitals
4 Posts
Computational Chemistry, DFT, Fluorescence, Gaussian, Models, NBO, NBO, Spectroscopy, TD-DFT, Tricks, Visualization, White papers
Natural Transition Orbitals (NTOs) Gaussian
Computational Chemistry, DFT, Fukui, TD-DFT, Theoretical Chemistry, White papers
The HOMO-LUMO Gap in Open Shell Calculations. Meaningful or meaningless?
History of science, Literature, Mathematics, Models, Quantum Mechanics, Scandal, Theoretical Chemistry
Dr. Joaquin Barroso's Blog 