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Details of Grant 

EPSRC Reference: GR/K01537/01
Title: ACCURATE PREDICTION OF ELECTRON CORRELATION APPLIED TO ORGANIC REACTION MECHANISMS
Principal Investigator: McDouall, Dr JJW
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Department: Chemistry
Organisation: Victoria University of Manchester, The
Scheme: Standard Research (Pre-FEC)
Starts: 15 March 1995 Ends: 14 September 1997 Value (£): 64,608
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Summary on Grant Application Form
The production of computer programs which combine the BOVB and CASSCF methods with a density functional scheme for the evaluation of the dynamic correlation energy. Application of the methods developed to reaction of nitric oxide, dioxiranes and carbonyl oxides.
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