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Thermodynamics of homolytic C-H bond cleavage in proteinogenic α-amino acids: Zwitterions in aqueous solution

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This work provides the systematic M06-2X theoretical study of C-H bond dissociation enthalpies (BDE) in aqueous solution for 21 proteinogenic α-amino acids present in eukaryotes. The results reveal that the formation of zwitterions in an aqueous solution sign... ...