Aghilas Brahmi

3 Questions 9 Answers 0 Followers

Questions related from Aghilas Brahmi

DFT calculation for metalloid ion's?

Could you please advise on the appropriate functional to use in DFT when studying the properties of a mixture of four metalloid ions in solution, and how should I proceed with the calculations?.

08 March 2025 6,384 3 View

Optimizing Dissolution of TiO2 Nanopowder into Solution: Seeking Guidance and Protocols

I am seeking guidance on effectively dissolving TiO2 powder into solution. Specifically, I would like to know the best solvent and method for achieving complete dissolution of TiO2 nanoparticles....

01 January 1970 5,755 3 View

Optimization DFT calculation using gaussian 9

Hello everyone , please I have problem in my calculations using gaussian, I always have the same error. Error termination in NtrErr: NtrErr called from fileIO. PPp

01 January 1970 3,035 2 View