Electronic structure and quantum conductance of molecular and nano electronics

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2011. === Cataloged from PDF version of thesis. === Includes bibliographical references (p. 129-137). === This thesis is dedicated to the application of a large-scale first-principles approach to study the electronic structu...

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Bibliographic Details
Main Author: Li, Elise Yu-Tzu
Other Authors: Nicola Marzari.
Format: Others
Language:English
Published: Massachusetts Institute of Technology 2011
Subjects:
Online Access:http://hdl.handle.net/1721.1/65270