title: Molecular origins of conduction channels observed in shot-noise measurements.
abstract: Measurements of shot noise from single molecules have indicated the presence of various conduction channels. We present three descriptions of these channels in molecular terms showing that the number of conduction channels is limited by bottlenecks in the molecule and that the channels can be linked to transmission through different junction states. We introduce molecular-conductance orbitals, which allow the transmission to be separated into contributions from individual orbitals and contributions from interference between pairs of orbitals.
authors.affiliation: School of Chemistry, The University of Sydney, NSW 2006, Australia.
authors.forename: Gemma C
authors.initials: GC
authors.lastname: Solomon
authors.forename: Alessio
authors.initials: A
authors.lastname: Gagliardi
authors.forename: Alessandro
authors.initials: A
authors.lastname: Pecchia
authors.forename: Thomas
authors.initials: T
authors.lastname: Frauenheim
authors.forename: Aldo
authors.initials: A
authors.lastname: Di Carlo
authors.forename: Jeffrey R
authors.initials: JR
authors.lastname: Reimers
authors.forename: Noel S
authors.initials: NS
authors.lastname: Hush
mesh_terms: D004553:Electric Conductivity; D004563:Electrochemistry; D004566:Electrodes; D004735:Energy Transfer; D008422:Materials Testing / Q000379:methods; D049329:Nanostructures / Q000737:chemistry*; D013438:Sulfhydryl Compounds / Q000737:chemistry*
chemical_list: C516314:1,4-benzenedithiol; D013438:Sulfhydryl Compounds