The transport and fluctuation properties of organic molecules ordered parallel between two Au contact leads are investigated by the method of surface Green's function. From first-principles simulation the relevant hopping parameters are extracted and used to calculate nonlinear transport coefficients with respect to an external bias voltage. A staggering of conductance is found in dependence on the number of molecules squeezed in between the contacts. The thermal properties show an anomalous

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... avior whenever the voltage reaches the values of the molecular energy levels active for transport. The thermoelectric figure of merit shows a resonance allowing one to reach values even larger than one.