Molecularmechanics simulation of uracil adlayers on molybdenum disulfide and graphite surfaces

S. J. Sowerby, M. Edelwirth, W. M. Heckl

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)S649-S653
JournalApplied Physics A: Materials Science and Processing
Volume66
Issue numberSUPPL. 1
DOIs
StatePublished - 1998
Externally publishedYes

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