Protonation states of intermediates in the reaction mechanism of [NiFe] hydrogenase studied by computational methods
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Title
Protonation states of intermediates in the reaction mechanism of [NiFe] hydrogenase studied by computational methods
Authors
Keywords
[NiFe] hydrogenase, Protonation, Reaction mechanism, QM/MM, Big-QM calculations
Journal
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
Volume 21, Issue 3, Pages 383-394
Publisher
Springer Nature
Online
2016-03-03
DOI
10.1007/s00775-016-1348-9
References
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