  We introduce a theoretical approach based on scattering theory and total
energy methods that treats transport non-linearities, conformational changes
and charging effects in molecular wires in a unified way. We apply this
approach to molecular wires consisting of chain molecules with different
electronic and structural properties bonded to metal contacts. We show that
non-linear transport in all of these systems can be understood in terms of a
single physical mechanism and predict that negative differential resistance at
high bias should be a generic property of such molecular wires.
