Structural differences between the active sites of the Ni-A and Ni-B states of the [NiFe] hydrogenase: an approach by quantum chemistry and single crystal ENDOR spectroscopy

A close look at dose: Toward L-edge XAS spectral uniformity, dose quantification and prediction of metal ion photoreduction

(2015) M.M. van Schooneveld et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Hydrogenases

(2014) Wolfgang Lubitz et al.   CHEMICAL REVIEWS

Development of Molecular Electrocatalysts for Energy Storage

(2014) Daniel L. DuBois   INORGANIC CHEMISTRY

Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states

(2014) Anne Volbeda et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Theoretical Spectroscopy of the NiIIIntermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases

(2013) Tobias Krämer et al.   CHEMBIOCHEM

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Intermediates in the Catalytic Cycle of [NiFe] Hydrogenase: Functional Spectroscopy of the Active Site

(2010) Maria-Eirini Pandelia et al.   CHEMPHYSCHEM

The Crystal Structure of the [NiFe] Hydrogenase from the Photosynthetic Bacterium Allochromatium vinosum: Characterization of the Oxidized Enzyme (Ni-A State)

(2010) Hideaki Ogata et al.   JOURNAL OF MOLECULAR BIOLOGY

Structural Features of the Unready Ni-A State of [NiFe] Hydrogenase Revealed by X-Ray Crystallography and EPR Spectroscopy

(2009) Maurice van Gastel   APPLIED MAGNETIC RESONANCE

Inhibition of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F by carbon monoxide: An FTIR and EPR spectroscopic study

(2009) Maria-Eirini Pandelia et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Probing intermediates in the activation cycle of [NiFe] hydrogenase by infrared spectroscopy: the Ni-SIr state and its light sensitivity

(2009) Maria-Eirini Pandelia et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

FTIR study on the light sensitivity of the [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F: Ni–C to Ni–L photoconversion, kinetics of proton rebinding and H/D isotope effect

(2009) Petra Kellers et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural Model Studies for the Peroxo Intermediate P and the Reaction Pathway from P → Q of Methane Monooxygenase Using Broken-Symmetry Density Functional Calculations

(2008) Wen-Ge Han et al.   INORGANIC CHEMISTRY

All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms

(2008) Dimitrios A. Pantazis et al.   Journal of Chemical Theory and Computation