| EPSRC Reference: |
GR/R13913/01 |
| Title: |
New Theories of Chemical Reactions |
| Principal Investigator: |
Connor, Professor JNL |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
Chemistry |
| Organisation: |
University of Manchester, The |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 2001 |
Ends: |
31 May 2005 |
Value (£): |
189,830
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| EPSRC Research Topic Classifications: |
| Gas & Solution Phase Reactions |
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Summary on Grant Application Form |
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This application requests a 3 year PDRA, a project student and related costs to develop new theories and computational methods for chemical reactions in order to predict and understand new effects in state-of-the-art experiments.Quantum scattering calculations will be performed for light atom transfer reactions, which involve multiple coupled potential energy surfaces, including the effects of van der Waals wells, conical intersections (and associated geometrical phases) and spin-orbit interactions.Reactions of this type are extremely common in chemistry , for example radical reactions. However the theoretical treatment of their dynamics is in its infancy. Quantities to be calculated include state-to-state and total reaction probabilities, cumulative reaction probabilities, differential and integral cross sections and rate coefficients. The proposed research is very demanding; It will keep the UK at the forefront of this area of research.The collaborators will make a contribution to the research worth 40363 for salary and overheads, and 6000 for 4500 hours of computer time. Total contribution: 46363.
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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.man.ac.uk |