Articles, Blogging, Computational Chemistry, Internet, Literature, Publications, Theoretical Chemistry
Category: Theoretical Chemistry
76 Posts
Computational Chemistry, DFT, Gaussian, Theoretical Chemistry, White papers
Grimme’s Dispersion DFT-D3 in Gaussian #CompChem
calixarenes, Computational Chemistry, Photosysnthesis, Proteins, RMFQT, Talks, Theoretical Chemistry
Mexican Phys.Chem. Meeting XVth edition
Computational Chemistry, PCCP, Reaction Mechanisms, RSC, Theoretical Chemistry, Uncategorized
New paper in PCCP: CCl3 reduced to CH3 through σ-holes #CompChem
Alumni, Articles, Chemistry, Computational Chemistry, Paper, Theoretical Chemistry
New paper in Tetrahedron #CompChem “Why U don’t React?”
Computational Chemistry, Gaussian, Models, Theoretical Chemistry, Tricks, White papers
The “art” of finding Transition States Part 2
Computational Chemistry, Gaussian, GaussView, Models, Research, Theoretical Chemistry, Tricks, White papers
The ‘art’ of finding Transition States Part 1
Alumni, Computational Chemistry, Photochemistry, Photosysnthesis, Quantum Mechanics, Science, Spectroscopy, TD-DFT, Teaching, Theoretical Chemistry, Thesis
Maru Sandoval M.Sc. – Our First Graduate Thesis
Computational Chemistry, Models, Software, Theoretical Chemistry, Tricks, Uncategorized, White papers
Quantifying σ-Holes – G09 and MultiWFN
Computational Chemistry, RMFQT, Talks, Theoretical Chemistry, Uncategorized
Dr. Joaquin Barroso's Blog 