Mathieu Morency

3 Questions 3 Answers 0 Followers

Questions related from Mathieu Morency

How to solve the basis set error warning on ghost atom in Gaussian16?

Hello everyone, I am trying to do a scan by using ghost atoms placed in the center of mass of two monomere. The thing is it seems that Gaussian want to define those ghost atom with a basis set...

10 June 2021 1,304 2 View

How to build an optimal computer for DFT calculation at a reasonable price?

I would like to build my computer from the beginning, part by part, in the purpose of DFT calculations and computational chemistry. I never did that and I'm kind of a noob in computer science. So...

23 April 2019 946 4 View

How to separate succinimide from a bromination product when using NBS?

I did the bromination reaction with NBS as shown in the attached file. After purifying my product by flash chromatography the nmr 1H spectrum shows presence of succinimide including my product,...

10 July 2018 6,379 3 View