Center for Theoretical Chemical Physics Laboratory of Molecular Catalysis mnovative Material Strength For small and regular molecules Chemical Accuracy: Energetics:Error 1 kcal/mol Structures:Error in Bond Lengths <0.01 A Frequencies:A few cm-l 李振华 2013/10/14 What Theory Can Do 3 造李 振 华 制 2013/10/14 What Theory Can Do 3 造 Strength For small and regular molecules Chemical Accuracy: Energetics: Error < 1 kcal/mol Structures: Error in Bond Lengths < 0.01 Å Frequencies: A few cm-1