Computational Chemistry, DFT, Internet, Models, Theoretical Chemistry, Tricks, White papers
Tag: white papers
30 Posts
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, DFT, Gaussian, Theoretical Chemistry, White papers
Grimme’s Dispersion DFT-D3 in Gaussian #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, Software, Theoretical Chemistry, Tricks, Uncategorized, White papers
Quantifying σ-Holes – G09 and MultiWFN
Computational Chemistry, Gaussian, Tricks, White papers
Partial Optimizations with Gaussian09
Articles, Publications, Spectroscopy
Simulation of Raman Spectroscopy and crystal cell effects – Selenium Carboxylate Eur. J. Inorg. Chem.
Gaussian, GaussView, White papers
Dr. Joaquin Barroso's Blog 