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Details of Grant 

EPSRC Reference: GR/K00677/01
Title: COMPUTER MODELLING OF PROTON CHEMICAL SHIFTS
Principal Investigator: Abraham, Professor R
Other Investigators:
Researcher Co-Investigators:
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Department: Chemistry
Organisation: University of Liverpool
Scheme: Standard Research (Pre-FEC)
Starts: 13 October 1995 Ends: 12 October 1998 Value (£): 6,246
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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
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Summary
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Organisation Website: http://www.liv.ac.uk