Mina Ghane

3 Questions 5 Answers 0 Followers

Questions related from Mina Ghane

What parameters effect on orbital density of anchor (Q factor) quantity in DSSC?

I calculate Q factor in gas phase and solvent in several dyes, in some dyes Q factor increase in solvent, but in some dyes Q factor decrease in solvent, Why this results showed? what parameters...

08 August 2014 7,185 0 View

How can I calculate resonance energy from second order lowering energy calculations?

I do NBO calculation for NKX-2553. I want to calculate resonance energy from second order energy lowering, how can I do it? Thanks.

06 June 2014 1,551 4 View

How can I calculate total delocalization or resonance energy from second order lowering energy calculations?

I do NBO calculation for NKX-2553. I want to calculate total resonance energy from second order energy lowering. How can I do it?

06 June 2014 2,191 5 View