Articles, Chemosensors, Collaborations, Computational Chemistry, Fluorescence, Fluorescence Quenching, Inorganic Chemistry, Paper
Tag: Computational and Theoretical Chemistry
56 Posts
Computational Chemistry, Nomenclature, Organic Chemistry, Theoretical Chemistry
Chemistry Makes the Chemical
Computational Chemistry, Mathematics, Theoretical Chemistry, Uncategorized
Dealing with Spin Contamination
Computational Chemistry, DFT, Gaussian, Theoretical Chemistry, White papers
Grimme’s Dispersion DFT-D3 in Gaussian #CompChem
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
Articles, calixarenes, Paper, Research, Uncategorized
New Paper in JIPH – As(V)@calix[n]arenes
Computational Chemistry, Models, Theoretical Chemistry, Tricks, White papers
Dr. Joaquin Barroso's Blog 