| EPSRC Reference: |
GR/J23099/02 |
| Title: |
QUANTUM THEORY OF FOUR-ATOM REACTIONS |
| Principal Investigator: |
Clary, Professor Sir D |
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| Department: |
Chemistry |
| Organisation: |
UCL |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 January 1996 |
Ends: |
28 March 1997 |
Value (£): |
60,164
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Summary on Grant Application Form |
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The work will involve the extension of the quantum theory of scattering to reactions involving four atom in three dimensions. Building on previous experience of the applicant, hyperspherical coordinates and the discrete variable representation will be adapted to this problem. Benchmark calculations will be done of cross sections and rate constants for the reactionsOH + H2 H2O + H, OH + CO CO2 + H and OH + HCl H2O + Clwhich are important in atmospheric and combustion chemistry.
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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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