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Document type:
Zeitschriftenaufsatz 
Author(s):
Solomon, G.C.; Gagliardi, A.; Pecchia, A.; Frauenheim, T.; Di Carlo, A.; Reimers, J.R.; Hush, N.S. 
Title:
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...    »
 
Keywords:
ElectrodesBinding sitesGoldElectronic devicesGeneral molecular properties 
Journal title:
J. Chem. Phys. 125, 184702 (2006) 
Year:
2006 
Year / month:
2006-11 
Quarter:
4. Quartal 
Month:
Nov 
Language:
en 
Fulltext / DOI:
Publisher:
AIP Publishing 
Occurrences: