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Predicting hydrogen atom transfer energy barriers using Gaussian process regression.

open access: yesDigit Discov
Ulanov E   +4 more
europepmc   +1 more source

Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins. [PDF]

open access: yesChem Sci
Riedmiller K   +6 more
europepmc   +1 more source

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