Titlebook: Energy Level Alignment and Electron Transport Through Metal/Organic Contacts; From Interfaces to M Enrique Abad Book 2013 Springer-Verlag B

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Theoretical Foundation,imations have been done in order to get the best accuracy/resources ratio. This chapter will guide through the state-of-the-art ab initio techniques necessary (some of them developed during this work) to successfully simulate the systems that have been studied during this thesis.

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2190-5053 faces are analyzed, both for single molecules and for a monolayer. The results validate the induced density of interface states model..978-3-642-42868-5978-3-642-30907-6Series ISSN 2190-5053 Series E-ISSN 2190-5061

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