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Dr. Joaquin Barroso's Blog

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

Tag: MultiWFN

3 Posts

New paper in PCCP: CCl3 reduced to CH3 through σ-holes #CompChem

Computational Chemistry, PCCP, Reaction Mechanisms, RSC, Theoretical Chemistry, Uncategorized

New paper in PCCP: CCl3 reduced to CH3 through σ-holes #CompChem

September 21, 2016 — 1 Comment

Computational Chemistry, Gaussian, Tricks, White papers

Quick note on WFN(X) files and MP2 calculations #G09 #CompChem

June 28, 2016 — 5 Comments

Quantifying σ-Holes – G09 and MultiWFN

Computational Chemistry, Models, Software, Theoretical Chemistry, Tricks, Uncategorized, White papers

Quantifying σ-Holes – G09 and MultiWFN

February 16, 2016 — 12 Comments

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Dr. Gustavo Mondragón PhD – A new graduate from the lab! joaquinbarroso.com/2023/03/14/dr-… 1 week ago
A new tradition is born. Every PhD graduating from my lab will get a chemistry set like the one in the pic!… twitter.com/i/web/status/1… 1 week ago
Congratulations to @GustavMondragon for defending his PhD with flying colors! We’re so proud of you, man! Ad astra… twitter.com/i/web/status/1… 1 week ago
La 4T está dispuesta a todo para que no hablen mal de México en el extranjero. Excepto acabar con la delincuencia,… twitter.com/i/web/status/1… 2 weeks ago

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