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a School of Chemistry, The University of Sydney, NSW 2006, Australia b Research School of Chemistry, The Australian National University, ACT 2600, Australia c School of Mathematics and Physics, The(More)
The adsorption of phenylthiol on the Au(111) surface is modeled using Perdew and Wang density-functional calculations. Both direct molecular physisorption and dissociative chemisorption via S-H bond(More)