Dear all,
When I calculate atomic charge, I get different results in sign by Mulliken(+), Hirschfeld(-) and ESP(-) charge. What is the most realiable method in charge analysis? Can any body suggest me some references about this?
I appreciate your help.
Sincerely,
Loc
When I calculate atomic charge, I get different results in sign by Mulliken(+), Hirschfeld(-) and ESP(-) charge. What is the most realiable method in charge analysis? Can any body suggest me some references about this?
I appreciate your help.
Sincerely,
Loc
