Rachida Fodil

3 Questions 11 Answers 0 Followers

Questions related from Rachida Fodil

Can you advise me how to plot Electron Density Difference Maps (EDDM)?

Hi! I saw in many papers the electron density maps that show for example; the electron density transfer between the hydrogen bond acceptors and donors and also the maps showing the polarization of...

11 November 2016 5,534 5 View

How can I complete the AIM analysis without error in Gaussian 09 program?

Hello ! I have performed AIM analysis by means Gaussian 09 program and using the following keywords in the roote section: # b3lyp/6-311g(d,p) geom=connectivity density=current aim=all, but the...

03 March 2016 2,048 11 View

How can I calculate the interaction energies of some complexes without using the BSSE-CP correction?

I have optimized a disaccharide in presence of 1, 2 and 3 water molecules (complex 1, complex 2 and complex 3) and I need to compute their interaction energies. To obtain the energy of each...

12 December 2014 8,008 11 View