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most citedFirst-principles calculation on the transport properties of molecular wires between Au clusters under equilibrium

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physics.comp-ph2007

Controllable density of states in molecular devices: the magnetic effect on cyclic molecules

Jingzhe Chen, Jin Zhang, Rushan Han

Through the analysis of density of states (DOS), we study two different kinds of cyclic molecules, a sodium atomic circle and a Polycyclic Aromatic Hydrocarbons (PAH) molecule resp…