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A quantum chemistry approach for current–voltage characterization of molecular junctions

Chuan-Kui Wang,ab   Ying Fuc and   Yi Luo*a  
Corresponding authors
Theoretical Chemistry, Royal Institute of Technology, Teknikringen 36, Sweden
E-mail: luo@theochem.kth.se
Department of Physics, Shandong Normal University, Jinan, P. R. China
Physical Electronics and Photonics, Microtechnology Center at Chalmers, Department of Physics, Chalmers University of Technology, Fysikgränd 3, Sweden
Phys. Chem. Chem. Phys., 2001,3, 5017-5023

DOI: 10.1039/B105279A
Received 15 Jun 2001, Accepted 20 Sep 2001
First published online 09 Nov 2001
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