Electronic transport in single molecules

We present a review of recent results on the non-linear transport properties of single molecules using density-functional theory. In particular, we investigate the role of contact chemistry and geometry, current-induced forces, and polarization effects induced by a gate field on the current-voltage characteristics of molecules for which experiments are available. The results show that single molecules, if appropriately tailored, have physical properties that could be useful in electronic applications. © 2002 Elsevier Science B.V. All rights reserved.