Computational studies of histidine radicals.
I am looking for any computational studies (particularly, but not
necesssarily, DFT )which have been carried out on histidine radicals (neutral,
cationic and +2 charged) or on related truncated species, such as
I am particularly interested in calculated vibrational frequencies and/or
mode assignments for these species.
If anyone could point me in a useful direction I would be most grateful.
Darryl A. Ellson
Darryl A. Ellson - Molecular Design & Simulation Laboratory.
Dept. Chemistry, UMIST, Manchester. UK. M60 1QD
Tel: 0161-236-3311 x4476 Fax: 0161-236-7677
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