| EPSRC Reference: |
GR/S07544/01 |
| Title: |
NON LINEAR OPTICAL PROPERTIES FROM SINGLE CRYSTAL X-RAY DIFFRACTION DATA |
| Principal Investigator: |
Howard, Professor JAK |
| Other Investigators: |
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| Department: |
Chemistry |
| Organisation: |
Durham, University of |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 2003 |
Ends: |
30 September 2006 |
Value (£): |
214,181
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| EPSRC Research Topic Classifications: |
| Chemical Structure |
Materials Characterisation |
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| EPSRC Industrial Sector Classifications: |
| Chemicals |
Communications |
| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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The project aims to yield estimates of molecular'in-crystal' (hyper)polarizabilities for a selection of important organic NLO and NLO related materials through the use of high resolution, low temperature single crystal X-ray diffraction data together with novel analytical and theoretical approaches. (see objectives) To achieve our goal, we will make use of (i) the advantage of, and our own experience on, the use of charge-coupled devices (CCDs) area detector technology for high resolution X-ray data collection and (ii) a recently described procedure that enables computation of the relevant two-electron expectation values from X-ray diffraction data.
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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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| Project URL: |
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