Magnetism in thiolated gold model junctions
Three stable, neutral diradical model molecules with an even number of electrons, based on pairs of small thiolated Au clusters connected via Au–Au bonding, are studied within a broken symmetry unrestricted density functional theory involving a set of exchange-correlation functionals, including PBE,...
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| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2013
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/99401 http://hdl.handle.net/10220/17162 |
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| Institution: | Nanyang Technological University |
| Language: | English |