December 2017 – Dr. Joaquin Barroso's Blog

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Dr. Joaquin Barroso's Blog

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

Month: December 2017

3 Posts

Another Great Year at the Lab! 2017

Blogging, Computational Chemistry

Another Great Year at the Lab! 2017

December 28, 2017 — 0 Comments

Coding, Computational Chemistry, DFT, Fukui, Gaussian, NBO, NBO, White papers

Python scripts for calculating Fukui Indexes

December 20, 2017 — 5 Comments

Computational Chemistry, Gaussian, GaussView, Tricks, Visualization, White papers

fchk file errors (Gaussian) Missing or bad Data: RBond

December 14, 2017 — 3 Comments

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