Tag: Gaussian
35 Posts
Computational Chemistry, Gaussian, White papers
Atom specifications unexpectedly found in input stream.
Computational Chemistry, Gaussian, NMR, Theoretical Chemistry, Tricks, White papers
Calculating NMR shifts – Short and Long Ways
Coding, Computational Chemistry, Gaussian, GaussView, White papers
Error for Gaussian16 .log files and GaussView5
Computational Chemistry, Gaussian, GaussView, Tricks, Visualization, White papers
fchk file errors (Gaussian) Missing or bad Data: RBond
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, Gaussian, Tricks, White papers
Quick note on WFN(X) files and MP2 calculations #G09 #CompChem
Computational Chemistry, Gaussian, Tricks, White papers
Partial Optimizations with Gaussian09
Gaussian, GaussView, White papers
Dr. Joaquin Barroso's Blog 