| EPSRC Reference: |
GR/M17631/01 |
| Title: |
CALCULATED VIBRATION-ROTATION SPECTRA OF SMALL MOLECULES |
| Principal Investigator: |
Tennyson, Professor J |
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| Department: |
Physics and Astronomy |
| Organisation: |
UCL |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 1998 |
Ends: |
31 March 2002 |
Value (£): |
196,868
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| No relevance to Underpinning Sectors |
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Summary on Grant Application Form |
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Spectral accuracy of better than 1 cm-1 for hydrogen contain molecules cannot be achieved within the Born-Oppenheimer approximation. We will include relativistic and non-adiabaatic effects into our treatment of the vibration-rotation spectra of small molecules using water and H3+ as prototypes. Unassigned spectra of water will be analysed and assigned. Spectra of H3+ at its dissociation limit will be generated to help explain unassigned photodissociation spectra. A new method for variational calculations on the vibration-rotation motion in methane will be developed. Data obtained. 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 |
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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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