User 6cec6c5ae2
05-10-2011 21:26:49
I want to estimate the pKa of organic molecules. Do I need topre-optimize the geometry using the quantum-chemical program?
Thanks ...
Alexander
Ukraine
User 6cec6c5ae2
05-10-2011 21:26:49
I want to estimate the pKa of organic molecules. Do I need topre-optimize the geometry using the quantum-chemical program?
Thanks ...
Alexander
Ukraine
ChemAxon e08c317633
06-10-2011 15:55:42
No, pre-optimization is not required.
Zsolt