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Feb 14, 2023
Riedmiller, Kai; Treyde, Wojtek; Gräter, Frauke, 2022, "Bond dissociation energies of X−H bonds in proteins [data]", https://doi.org/10.11588/data/AA3UAQ, heiDATA, V2
Knowledge of reliable X−H bond dissociation energies (X = C, N, O, S) for amino acids in proteins is key for studying the radical chemistry of proteins. X−H bond dissociation energies of model dipeptides were computed using the isodesmic reaction method at the BMK/6-31+G(2df,p) a... |
Feb 14, 2023 -
Bond dissociation energies of X−H bonds in proteins [data]
ZIP Archive - 83.2 MB -
MD5: 89bd8783c4d7ee1e011479f74a029b52
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