| EPSRC Reference: |
GR/K01537/01 |
| Title: |
ACCURATE PREDICTION OF ELECTRON CORRELATION APPLIED TO ORGANIC REACTION MECHANISMS |
| Principal Investigator: |
McDouall, Dr JJW |
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| Department: |
Chemistry |
| Organisation: |
Victoria University of Manchester, The |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
15 March 1995 |
Ends: |
14 September 1997 |
Value (£): |
64,608
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Summary on Grant Application Form |
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The production of computer programs which combine the BOVB and CASSCF methods with a density functional scheme for the evaluation of the dynamic correlation energy. Application of the methods developed to reaction of nitric oxide, dioxiranes and carbonyl oxides.
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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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