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Dokumenttyp:
Zeitschriftenaufsatz 
Autor(en):
Gagliardi, A.; Solomon, G.C.; Pecchia, A.; Di Carlo, A.; Frauenheim, T.; Reimers, J.R.; Hush, N.S. 
Titel:
A Priori Method for Propensity Rules for Inelastic Electron Tunneling Spectroscopy of Single-Molecule Conduction 
Abstract:
An a priori computational method for determining intensities in inelastic electron tunneling spectroscopy (IETS) is developed that allows simple, chemically intuitive propensity rules to be obtained for arbitrary applications. The molecule is shown to scatter charges between quite specific eigenchannels of lead-coupling-weighted molecular density of states. This allows mode-specific scattering sites to be identified within the molecule, indicating how external chemical or other perturbations cou...    »
 
Stichworte:
General formulation of transport theory, Other topics in electronic transport in condensed matter 
Zeitschriftentitel:
Physical Review B, vol. 75, Issue 17, id. 174306 
Jahr:
2007 
Jahr / Monat:
2007-05 
Quartal:
2. Quartal 
Monat:
May 
Sprache:
en 
Verlag / Institution:
American Physical Society 
Vorkommen: