| EPSRC Reference: |
GR/J61794/01 |
| Title: |
COMPUTING FOR QUANTUM CHEMISTRY |
| Principal Investigator: |
Howard, Dr ST |
| Other Investigators: |
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| Project Partners: |
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| Department: |
Chemistry |
| Organisation: |
Cardiff University |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
14 April 1994 |
Ends: |
13 April 1995 |
Value (£): |
10,575
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| Panel History: |
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Summary on Grant Application Form |
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(1) Development of software for fitting parameterised charge distributions to X-ray scattering data.(2) Ab initio Hartree Fock and density functional calculations on clusters of molecules.(3) Development of software for analysing results from (1) and (2).(4) Development of software for reprocessing of X-ray diffraction data from Ke FAST area diffractometer, to allow for thermal diffuse scattering.
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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.cf.ac.uk |