Matthias Stein

Matthias Stein
Leader Working Group 2

Dr. Matthias Stein
Max Planck Institute for Dynamics of Complex Technical Systems
Molecular Simulations and Design Group
Sandtorstrasse 1
39106 Magdeburg
website, mail


Metals: Ni, Fe, Rh, Cu
Techniques: DFT, MD, Theoretical Spectroscopy (EPR, IR, Raman, NMR, Mössbauer), Protein Design, Brownian Dynamics
Resources: CPUs

Recent publications

Eileen Edler, Matthias Stein
"Spin-State-Dependent Properties of an Iron(III) Hydrogenase Mimic"
Eur. J. Inorg. Chem. 2014, 2014, 3587-3599 [abstract]
DOI: 10.1002/ejic.201402295

Sandeep Kaur-Ghumaan, Matthias Stein
"[NiFe] hydrogenases: how close do structural and functional mimics approach the active site?"
Dalton Trans. 2014, 43, 9392-9405 [abstract]
DOI: 10.1039/c4dt00539b

Geoffrey M. Chambers, Joyee Mitra, Thomas B. Rauchfuss, Matthias Stein
"NiI/RuII Model for the Ni-L State of the [NiFe]Hydrogenases: Synthesis, Spectroscopy, and Reactivity"
Inorg. Chem. 2014, 53, 4243-4249 [abstract]
DOI: 10.1021/ic500389p

Özlen F. Erdem, Matthias Stein, Sandeep Kaur-Ghumaan, Edward J. Reijerse, Sascha Ott, Wolfgang Lubitz
"Effect of Cyanide Ligands on the Electronic Structure of [FeFe] Hydrogenase Active-Site Model Complexes with an Azadithiolate Cofactor"
Chem. Eur. J. 2013, 19, 14566-14572 [abstract]
DOI: 10.1002/chem.201302467

Wenguang Wang, Mark J. Nilges, Thomas B. Rauchfuss, Matthias Stein
"Isolation of a Mixed Valence Diiron Hydride: Evidence for a Spectator Hydride in Hydrogen Evolution Catalysis"
J. Am. Chem. Soc. 2013, 135, 3633-3639 [abstract]
DOI: 10.1021/ja312458f

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