| EPSRC Reference: |
GR/M86750/01 |
| Title: |
ROPA: INCORPORATING MOLECULAR INFORMATION IN THE STIMULATION OF MAGNETISM MOLECULAR MAGNETIC CRYSTALS |
| Principal Investigator: |
Robb, Professor M A |
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| Department: |
Chemistry |
| Organisation: |
Kings College London |
| Scheme: |
ROPA |
| Starts: |
01 September 1999 |
Ends: |
31 August 2001 |
Value (£): |
81,511
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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A quantum chemistry implementation of a magnetic Heisenberg Hamiltonian will be made. The exchange parameters Jij will be obtained from high level ab initio computations. Applications will then be carried out for several organic ferromagnetic crystals. This represents the first attempt to incorporate molecular properties into simulations of magnetic effects.
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Key Findings |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
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| Date Materialised |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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