Molecularmechanics simulation of uracil adlayers on molybdenum disulfide and graphite surfaces

Molecular mechanics using the Dreiding II force field was applied to the self-assembled monolayer configurations of the nucleic acid base uracil on molybdenum disulfide and graphite surfaces. Energyminimization calculations were used to refine the structures determined by scanning tunneling microscopy studies of the monolayer systems and allowed discrimination between competing models on the basis of final configurations and local minima convergence.