Journal of the American Chemical Society p. 4119 - 4124 (2003)
Update date:2022-08-03
Topics: Experimental Investigation
Croft, Anna K.
Easton, Christopher J.
Radom, Leo
Ab initio calculations have been used to design radical -resistant amino acid residues. Optimized structures of free and protected amino acids and their corresponding β-carbon-centered radicals were determined with B3-LYP/6-31G(d). Single-point RMP2/6-31G
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