Chemical Forums

Chemistry Forums for Students => Physical Chemistry Forum => Topic started by: mir on May 10, 2006, 04:53:19 AM

Title: Energy and structure
Post by: mir on May 10, 2006, 04:53:19 AM
Funny, Im running a statistical analysis on a collection of molecules. The structure and electrostatics doesnt seem to correlate with the frontier orbital energy levels (HOMO, LUMO, LUMO+1 etc.).

How can that be possible?