Visualizing Difference in Charge Density
Posted: Mon Sep 12, 2011 4:05 pm
Dear Friends,
I am looking at the dissociation of precursor molecule on SiO2 surface.
I have two cases.
one where the precursor fragments
and the other where the precursor doesn't get fragmented.
I wanted to explain this chemistry by the difference in charge transferred
from surface to molecule in terms of a figure.
Could anyone explain how this could be done using the provided scripts.
any comments and suggestions will be appreciated.
Best regards,
Vimal
I am looking at the dissociation of precursor molecule on SiO2 surface.
I have two cases.
one where the precursor fragments
and the other where the precursor doesn't get fragmented.
I wanted to explain this chemistry by the difference in charge transferred
from surface to molecule in terms of a figure.
Could anyone explain how this could be done using the provided scripts.
any comments and suggestions will be appreciated.
Best regards,
Vimal