Computation theory 2 Density functional theory Supramolecular chemistry 2 Adatoms 1 Adsorption 1 Anions 1 Au(1 1 1 ) 1 Benzotriazole 1 Benzotriazoles 1 Bonding patterns 1 Chalcogens 1 Chemical bonds 1 Condensed phase 1 Condensed phasis 1 Copper adatoms 1 Copper atoms 1 Copper compounds 1 Copper corrosion 1 Corrosion inhibitors 1 DFT 1 Design Principles 1 Design for testability 1 Electronic structure 1 Environment effects 1 Finite temperatures 1 Functional materials 1 Gold 1 HREELS 1 Hydrogen bonds 1 Molecules 1