
Computational Chemistry
Theoretical Background and Applications 
General MethodsThe link below is to a course on Quantum Chemistry. This gives background for both ab initio (HartreeFock and postHartreeFock) calculations as well as Density Functional Theory (DFT).Our research group has conducted calculations using density function theory (DFT) methods as a complement to experimental measurements in a number of experimental areas:Surface structure of selfassembled monolayers on conductors / pdf / pdfDynamics and Energetics of Enzymes / pdf 
