Tag: Computational Chemistry
141 Posts
Computational Chemistry, PCCP, Reaction Mechanisms, RSC, Theoretical Chemistry, Uncategorized
New paper in PCCP: CCl3 reduced to CH3 through σ-holes #CompChem
Computational Chemistry, Gaussian, Tricks, White papers
Quick note on WFN(X) files and MP2 calculations #G09 #CompChem
Alumni, calixarenes, Computational Chemistry, Photosysnthesis, Spectroscopy, TD-DFT, Thesis
A New Graduate Student
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
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
Dr. Joaquin Barroso's Blog 