| EPSRC Reference: |
GR/M58252/01 |
| Title: |
CALCULATION OF REACTIVE SCATTERING RATES AND CROSS SECTIONS FOR O + HC1 |
| Principal Investigator: |
Balint-Kurti, Professor G |
| Other Investigators: |
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| Department: |
Chemistry |
| Organisation: |
University of Bristol |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
24 May 1999 |
Ends: |
23 May 2002 |
Value (£): |
20,069
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Summary on Grant Application Form |
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Quantum reactive scattering calculations will be carried out to predict the integral and differential reactive cross sections for the o+HC1 OH+C1 reaction. The oxygen atom may initially be in an excited singlet electronic state or in its ground triplet state. Both reactions will be studied. The calculations will be performed using newly developed wavepacket methods and computer codes. Exact J>O calculations and helicity decoupled calculations will be carried out for the reaction. Approximate theories will be developed to allow the estimation of large total angular momentum (J) contributions to the cross sections. New theories will be developed to allow the prediction of the electronic angular momentum state distributions of the open shell products.A computer server is requested to permit the above work under a collaborative EU COST project. A small amount of travel funds are also requested to facilitate the collaboration through exchange visits between Bristol and Perugia.
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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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| Further Information: |
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| Organisation Website: |
http://www.bris.ac.uk |