Articles, Chemistry, Computational Chemistry, DFT, Paper, Theoretical Chemistry, Thermodynamics
Tag: Theoretical Chemistry
100 Posts
Academia, CINVESTAV, Computational Chemistry, Research, RMFQT, Theoretical Chemistry
Dr. Gabriel Merino wins The Walter Kohn Prize 2018
Blogging, Computational Chemistry, CUDA, DFT, Journals, Quantum Mechanics, Random thoughts, Research, RMFQT, Talks, Theoretical Chemistry
Computational Chemistry from Latin America
Computational Chemistry, DFT, Fukui, TD-DFT, Theoretical Chemistry, White papers
The HOMO-LUMO Gap in Open Shell Calculations. Meaningful or meaningless?
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
Dr. Joaquin Barroso's Blog 