Chemistry, Computational Chemistry, DFT, Excited State, Fukui, Gaussian, NBO, Photochemistry, TD-DFT, Theoretical Chemistry, Tricks, White papers
Tag: Population Analysis
4 Posts
Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers
Percentage of Molecular Orbital Composition – G09,G16
Coding, Computational Chemistry, DFT, Fukui, Gaussian, NBO, NBO, White papers
Python scripts for calculating Fukui Indexes
AIM, AIMALL, Computational Chemistry, DFT, Gaussian, Mathematics, Models, Science, Theoretical Chemistry, Tricks, White papers
Dr. Joaquin Barroso's Blog 