ArticleIdentifying multiple configurations of complex molecules in dynamical processes: time resolved tunneling spectroscopy and density functional theory calculationGrein, Chistoph H.We report for the first time a new methodology to determine molecular configurations of a large molecular complex in a dynamical process on a metal surface by combining time-resolved tunneling spectroscopy (I−t) and density functional theory calculati . . .
ArticleCheng, ZhihaiExperiments and first-principles calculations reveal that we introduce gold adatoms at the surface as the stable contact of the molecule to the surface. An off-center rotation axis is formed by a chemical bonding between a nitrogen atom of the molecul . . .