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Dokumenttyp:
Zeitschriftenaufsatz 
Autor(en):
Solomon, G.C.; Gagliardi, A.; Pecchia, A.; Frauenheim, T.; Di Carlo, A.; Reimers, J.R.; Hush, N.S. 
Titel:
The Symmetry of Single Molecule Conduction 
Abstract:
We introduce the conductance point group which defines the symmetry of single-molecule conduction within the nonequilibrium Green’s function formalism. It is shown, either rigorously or to within a very good approximation, to correspond to a molecular-conductance point group defined purely in terms of the properties of the conducting molecule. This enables single-molecule conductivity to be described in terms of key qualitative chemical descriptors that are independent of the nature of the molec...    »
 
Stichworte:
ElectrodesBinding sitesGoldElectronic devicesGeneral molecular properties 
Zeitschriftentitel:
J. Chem. Phys. 125, 184702 (2006) 
Jahr:
2006 
Jahr / Monat:
2006-11 
Quartal:
4. Quartal 
Monat:
Nov 
Sprache:
en 
Verlag / Institution:
AIP Publishing 
Vorkommen: