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Frauke Gräter

2 results in Authors: Frauke Gräter

Theoretical and Computational Chemistry

Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins

Kai Riedmiller, Patrick Reiser, Elizaveta Bobkova, Kiril Maltsev, Ganna Gryn'ova, Pascal Friederich, Frauke Gräter

Version 3 posted 09 January 2024

722

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Theoretical and Computational Chemistry

Bond dissociation energies of X−H bonds in proteins

Wojtek Treyde, Kai Riedmiller, Frauke Gräter

Version 2 posted 24 November 2022

309

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