Molecular Electronics : A Theoretical Study of Electronic Structure of Bulk and Interfaces
This thesis deals with theoretical studies of the electronic structure of molecules used in the context of molecular electronics. Both studies with model Hamiltonians and first principle calculations have been performed. The materials studied include molecular crystals of pentacene and DNA, which ar...
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| Format: | Doctoral Thesis |
| Language: | English |
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Linköpings universitet, Beräkningsfysik
2006
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-6938 http://nbn-resolving.de/urn:isbn:91-85457-82-5 |