Brahim Hachlaf

6 Questions 2 Answers 0 Followers

Questions related from Brahim Hachlaf

How to solve this "Illegal instruction (core dumped)" gaussian in Ubuntu?

Gaussian 16 issues I am facing this error "Illegal instruction (core dumped)" during the calculation using gaussian 16 in Ubuntu. anyone have a solution for this error? Thanks in advance

16 November 2024 7,694 2 View

How to study radical reaction in Gaussian?

I have to add No3 to phenol, this reaction is reaction radical types.

16 April 2019 6,858 1 View

What theoretical studies did you propose by Gaussian?

HELLO if you have a new synthesized compound. What theoretical studies did you propose by Gaussian? (DFT. B3LYP. RMN.MEP. HOMO?.......)

28 November 2017 257 5 View

Criterias and properties for a series of molecules used as corrosion inhibitor?

what are the criterias and properties (Before starting the theoretical study) for a series of molecules used as corrosion inhibitor

01 January 1970 3,251 4 View

Number of cluster N of (TiO2)n

What is the difference between the adsorption on (TiO2) n=16 and n=8? Because sometimes we want to save the time for calculation and we do not need to expand the time for calculation of the...

01 January 1970 2,052 0 View

How to fix the error >Convergence criterion not met?

When calculating absorption characteristics using TD-DFT (Functional/Basis set/ solvent/ solvent mode) for any electronic systems, you might encounter convergence failure and total polarization...

01 January 1970 4,626 0 View