Systematic study of the lowest energy st
โ
Jorge M. Seminario; James M. Tour
๐
Article
๐
1997
๐
John Wiley and Sons
๐
English
โ 229 KB
A density functional theory study of Au, Au , Au , and Au is 2 3 4 performed focusing on the study of gold tips or contacts of interest in investigations of molecular-scale electronics. The ground state for the four systems corresponds to the one with the lowest multiplicity, and the ordering of ene