Chemistry, Computational Chemistry, DFT, Excited State, Fukui, Gaussian, NBO, Photochemistry, TD-DFT, Theoretical Chemistry, Tricks, White papers
Tag: white papers
25 Posts
Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers
Percentage of Molecular Orbital Composition – G09,G16
Computational Chemistry, Gaussian, Tricks, White papers
Fixing the error: Bad data into FinFrg
Computational Chemistry, DFT, Fluorescence, Gaussian, NBO, NBO, Spectroscopy, TD-DFT, Theoretical Chemistry, Tricks, White papers
Density Keyword in Excited State Calculations with Gaussian
Computational Chemistry, Gaussian, NMR, Theoretical Chemistry, Tricks, White papers
Calculating NMR shifts – Short and Long Ways
Computational Chemistry, DFT, Internet, Models, Theoretical Chemistry, Tricks, White papers
Post Calculation Addition of Empirical Dispersion – Fixing interaction energies
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
Dr. Joaquin Barroso's Blog 