Computational Chemistry, DFT, Fukui, TD-DFT, Theoretical Chemistry, White papers
Tag: Theoretical Chemistry
97 Posts
Computational Chemistry, Gaussian, NMR, Theoretical Chemistry, Tricks, White papers
Calculating NMR shifts – Short and Long Ways
Computational Chemistry, DFT, Internet, Models, Theoretical Chemistry, Tricks, White papers
Post Calculation Addition of Empirical Dispersion – Fixing interaction energies
Books, Computational Chemistry, DFT, Literature, Theoretical Chemistry
DFT Textbook in Spanish by Dr. José Cerón-Carrasco
Blogging, Computational Chemistry
Another Great Year at the Lab! 2017
Coding, Computational Chemistry, DFT, Fukui, Gaussian, NBO, NBO, White papers
Python scripts for calculating Fukui Indexes
Computational Chemistry, RMFQT, Talks
XVI Mexican Meeting on Phys.Chem.
Computational Chemistry, Nomenclature, Organic Chemistry, Theoretical Chemistry
Chemistry Makes the Chemical
WATOC 2017
Computational Chemistry, DFT, Photochemistry, Photosysnthesis, TD-DFT, Theoretical Chemistry
Dr. Joaquin Barroso's Blog 