Coding, Computational Chemistry, Gaussian, GaussView, White papers
Category: Gaussian
35 Posts
Coding, Computational Chemistry, DFT, Fukui, Gaussian, NBO, NBO, White papers
Python scripts for calculating Fukui Indexes
Computational Chemistry, Gaussian, GaussView, Tricks, Visualization, White papers
fchk file errors (Gaussian) Missing or bad Data: RBond
Computational Chemistry, DFT, Gaussian, Theoretical Chemistry, White papers
Grimme’s Dispersion DFT-D3 in Gaussian #CompChem
Computational Chemistry, Gaussian, Tricks, White papers
Quick note on WFN(X) files and MP2 calculations #G09 #CompChem
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
Computational Chemistry, Gaussian, Tricks, White papers
Partial Optimizations with Gaussian09
Gaussian, GaussView, White papers
Efficient use of the clipboard on GaussView
AIM, AIMALL, Computational Chemistry, DFT, Gaussian, Mathematics, Models, Science, Theoretical Chemistry, Tricks, White papers
Dr. Joaquin Barroso's Blog 