| EPSRC Reference: |
GR/R47776/01 |
| Title: |
Rotation-vibration spectra of small molecules |
| Principal Investigator: |
Tennyson, Professor J |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Physics and Astronomy |
| Organisation: |
UCL |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 2001 |
Ends: |
30 September 2004 |
Value (£): |
235,851
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| EPSRC Research Topic Classifications: |
| Scattering & Spectroscopy |
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| EPSRC Industrial Sector Classifications: |
| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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Spectral accuracy for the vibration-rotation levels of small molecules of better than 1 cm -1 cannot be achieved using standard methods based on the Born-Oppenheimer approximation. We will include adiabatic, non-adiabatic, electronic, relativistic (both kinetic and potential), qed and nuclear spin coupling effects in our treatment of the nuclear motion. Unassigned spectra of HzO, HDO and D20 will be analysed and assigned, including laser transitions recently observed in Hz0 and DzO. Estimates will be made of ortho-para conversion effects in water and possible experimental measurements modelledData, particularly for water, will be made freely available to other scientists.
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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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