Books, Computational Chemistry, DFT, Literature, Theoretical Chemistry
Category: DFT
18 Posts
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, DFT, Gaussian, Theoretical Chemistry, White papers
Grimme’s Dispersion DFT-D3 in Gaussian #CompChem
AIM, AIMALL, Computational Chemistry, DFT, Gaussian, Mathematics, Models, Science, Theoretical Chemistry, Tricks, White papers
Atoms in Molecules (QTAIM) – Flash lesson
ACS, Articles, calixarenes, Computational Chemistry, DFT, JACS, NBO, Paper, Research
New paper in JACS
calixarenes, Computational Chemistry, CTC, DFT, Drug Delivery, Interns, Molecular Dynamics, NBO, Paper
New paper in Computational and Theoretical Chemistry
ACS, Articles, Computational Chemistry, DFT, Drug Delivery, JCTC, Molecular Dynamics, NBO, Paper, Theoretical Chemistry
Dr. Joaquin Barroso's Blog 