  We study theoretically the length dependence of both conductance and
thermopower in metal-molecule-metal junctions made up of dithiolated
oligophenylenes contacted to gold electrodes. We find that while the
conductance decays exponentially with increasing molecular length, the
thermopower increases linearly as suggested by recent experiments. We also
analyze how these transport properties can be tuned with methyl side groups.
Our results can be explained by considering the level shifts due to their
electron-donating character as well as the tilt-angle dependence of conductance
and thermopower. Qualitative features of the substituent effects in our
density-functional calculations are explained using a tight-binding model. In
addition, we observe symmetry-related even-odd transmission channel
degeneracies as a function of molecular length.
