Computational Chemistry, DFT, Fluorescence, Gaussian, NBO, NBO, Spectroscopy, TD-DFT, Theoretical Chemistry, Tricks, White papers
Tag: Tricks
13 Posts
Failure Reading NMR data in GaussView
Computational Chemistry, Gaussian, White papers
Atom specifications unexpectedly found in input stream.
Computational Chemistry, Gaussian, GaussView, Tricks, Visualization, White papers
fchk file errors (Gaussian) Missing or bad Data: RBond
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, Models, Theoretical Chemistry, Tricks, White papers
Comparing the Relative Stability of Non-Equivalent Molecules
Computational Chemistry, Tricks, White papers
Restarting Calculations from rwf Files – Gaussian
Computational Chemistry, Gaussian, Tricks, Visualization, White papers
Dr. Joaquin Barroso's Blog 