ACS, Computational Chemistry, Inorganic Chemistry, JACS, Paper
Category: Computational Chemistry
159 Posts
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
Academia, Computational Chemistry, Mental Health, Random thoughts
The Mental Health Problem in Grad School
AIM, Articles, Computational Chemistry, FMO, Photochemistry, Photosysnthesis, Publications, TD-DFT
Mg²⁺ Needs a 5th Coordination in Chlorophylls – New paper in IJQC
Coding, Computational Chemistry, Gaussian, GaussView, White papers
Error for Gaussian16 .log files and GaussView5
Books, Computational Chemistry, DFT, Literature, Theoretical Chemistry
DFT Textbook in Spanish by Dr. José Cerón-Carrasco
Computational Chemistry, Health, Research
Our first dabble in #MedChem through #CompChem
ACS, Computational Chemistry, Crystallography, Drug Delivery, Inorganic Chemistry, NBO, Paper
Dr. Joaquin Barroso's Blog 