| EPSRC Reference: |
GR/J89682/02 |
| Title: |
COMPUTER MODELLING OF LARGE METAL COMPLEXES USING TRUNCATED LIGAND MIMICS: AN INITIAL PHASE |
| Principal Investigator: |
Deeth, Professor R |
| Other Investigators: |
|
| Researcher Co-Investigators: |
|
| Project Partners: |
|
| Department: |
Chemistry |
| Organisation: |
University of Warwick |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 July 1994 |
Ends: |
28 July 1997 |
Value (£): |
1,631
|
| EPSRC Research Topic Classifications: |
|
| EPSRC Industrial Sector Classifications: |
|
| Related Grants: |
|
| Panel History: |
|
|
Summary on Grant Application Form |
|
1. To incorporate DFT-computer energies and derivates into a conventional MM program.2. To investigate the performance of the combined DFT/MM methods to complexes containing saturated ligands.
|
|
Key Findings |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
|
Potential use in non-academic contexts |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
|
Impacts |
|
| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
| Summary |
|
| Date Materialised |
|
|
|
|
Sectors submitted by the Researcher |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
| Project URL: |
|
| Further Information: |
|
| Organisation Website: |
http://www.warwick.ac.uk |