| EPSRC Reference: |
GR/K00677/01 |
| Title: |
COMPUTER MODELLING OF PROTON CHEMICAL SHIFTS |
| Principal Investigator: |
Abraham, Professor R |
| Other Investigators: |
|
| Researcher Co-Investigators: |
|
| Project Partners: |
|
| Department: |
Chemistry |
| Organisation: |
University of Liverpool |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
13 October 1995 |
Ends: |
12 October 1998 |
Value (£): |
6,246
|
| EPSRC Research Topic Classifications: |
|
| EPSRC Industrial Sector Classifications: |
|
| Related Grants: |
|
| Panel History: |
|
|
Summary on Grant Application Form |
|
A computer model of proton chemical shifts, which has already given accurate chemical shifts for all the protons in a wide variety of hydrocarbons, will be extended to a variety of molecules of general interest. These will include olefins and aromatic compounds and also molecules with anisotropic functional groups (CO, CN etc.) and charged groups.The aim is produce a computer model of proton chemical shifts of real utility to the practising chemist.
|
|
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.liv.ac.uk |