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Dr. Joaquin Barroso's Blog

Scientific log of a computational chemist – "Make like a molecule and React!"

Tag: Density Functional Theory

3 Posts

Computational Chemistry, DFT, Fluorescence, Gaussian, NBO, NBO, Spectroscopy, TD-DFT, Theoretical Chemistry, Tricks, White papers

Density Keyword in Excited State Calculations with Gaussian

October 22, 2020 — 1 Comment

XVI Mexican Meeting on Phys.Chem.

Computational Chemistry, RMFQT, Talks

XVI Mexican Meeting on Phys.Chem.

November 29, 2017 — 4 Comments

Grimme’s Dispersion DFT-D3 in Gaussian #CompChem

Computational Chemistry, DFT, Gaussian, Theoretical Chemistry, White papers

Grimme’s Dispersion DFT-D3 in Gaussian #CompChem

March 8, 2017 — 6 Comments

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