Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers
Tag: #CompChem
12 Posts
Computational Chemistry, Gaussian, Theoretical Chemistry, White papers
Basis Set Superposition Error (BSSE). A short intro
Computational Chemistry, DFT, Fukui, TD-DFT, Theoretical Chemistry, White papers
The HOMO-LUMO Gap in Open Shell Calculations. Meaningful or meaningless?
Computational Chemistry, Health, Research
Our first dabble in #MedChem through #CompChem
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, DFT, Photochemistry, Photosysnthesis, TD-DFT, Theoretical Chemistry
Photosynthesis and Singlet Fission – #WATOC2017 PO1-296
Computational Chemistry, Internet, Twitter, Uncategorized
Some Comp.Chem. Tweeps
Articles, Computational Chemistry, DNA, Journals, Molecular Dynamics, Paper, PCCP, Research, Theoretical Chemistry
Stability of Unnatural DNA – @PCCP #CompChem
Articles, Blogging, Computational Chemistry, Internet, Literature, Publications, Theoretical Chemistry
Dr. Joaquin Barroso's Blog 