Sadegh Kaviani

6 Questions 3 Answers 0 Followers

Questions related from Sadegh Kaviani

How can spin density distribution and spatial spin density be calculated in value and in graph computationally?

how can i get spin density in value and in graph from Gaussian?

04 April 2018 2,163 0 View

Any suggestion about solving the L508?

I got the following error when trying to do energy optimization using M06-2X method, Restarting incremental Fock formation.Search did not lower the energy significantly.No lower point found --...

12 December 2017 7,765 0 View

I am getting the following error in gaussian 09 via linkle termination l508.

I am optimizing the 67 atoms file with the following path opt freq m06/6-31g(d) scrf=(cpcm,solvent=water) nosymm scf=(fermi,xq c,maxconventionalcycles=30) I am getting this error LinEq1: Iter= 0...

07 July 2017 1,698 6 View

How can I calculate The Wiberg bond index values of the bond?

I want to calculate The Wiberg bond index values of the M-O bond

08 August 2016 3,400 0 View

What is the relationship between solvent dielectric constant and binding energies in metal complexes?

Binding energies of metal to ligand

06 June 2016 2,490 2 View

What is relationship between stability and metal- ligand binding energy in metal complexes?

I want to know that the relationship is linear or not

06 June 2016 6,761 3 View