Pendant amine bases speed up proton transfers to metals by splitting the barriers†
Abstract
By using density functional theory on [FeFe]-hydrogenase mimics we deconvolute the function of pendant
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* Corresponding authors
a
Division of Theoretical Chemistry & Biology, School of Biotechnology, KTH Royal Institute of Technology, 106 91 Stockholm, Sweden
E-mail:
mahlquist@theochem.kth.se
b State Key Laboratory of Fine Chemicals, DUT-KTH Joint Education and Research Centre on Molecular Devices, Dalian University of Technology, 116012 Dalian, China
c Department of Chemistry, School of Chemical Science and Engineering, KTH Royal Institute of Technology, 100 44 Stockholm, Sweden
By using density functional theory on [FeFe]-hydrogenase mimics we deconvolute the function of pendant
Y. Wang, M. Wang, L. Sun and M. S. G. Ahlquist, Chem. Commun., 2012, 48, 4450 DOI: 10.1039/C2CC00044J
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