Electron propagation through a molecular
device is determined
by
its quantum electronic structure. We employ molecular conductance
orbitals (MCOs) to predict and interpret quantum interference (QI),
which contain more information about the electrodes compared with
molecular orbitals (MOs) of an isolated molecule. The phases, amplitudes,
and alignment of MCOs determine whether they interfere constructively
or destructively, which can be seen directly from projection transmissions
and QI maps. We apply this intuitive method to butadiene, benzene,
and cyclopentadienyl (Cp) anion so that we can elucidate the mechanism
of QI among the whole energy range beyond the Fermi level and demonstrate
the unique characteristics of MCOs.