(Q38880043)

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Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides

scientific article published on 29 June 2016

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Europe PubMed Central

PMC publication ID

7 September 2017

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Europe PubMed Central

Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides (English)

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Europe PubMed Central

PMC publication ID

7 September 2017

Sharon Hammes-Schiffer

4

object named as

Sharon Hammes-Schiffer

1 reference

Europe PubMed Central

7 September 2017

PMC publication ID

1

object named as

David Schilter

1 reference

Europe PubMed Central

PMC publication ID

7 September 2017

3

object named as

Mioy T Huynh

1 reference

Europe PubMed Central

7 September 2017

PMC publication ID

author name string

James M Camara

2

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Europe PubMed Central

PMC publication ID

7 September 2017

Thomas B Rauchfuss

5

1 reference

Europe PubMed Central

PMC publication ID

7 September 2017

publication date

29 June 2016

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Europe PubMed Central

PMC publication ID

7 September 2017

Chemical Reviews

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Europe PubMed Central

PMC publication ID

7 September 2017

116

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Europe PubMed Central

PMC publication ID

7 September 2017

15

1 reference

Europe PubMed Central

PMC publication ID

7 September 2017

8693-8749

1 reference

Europe PubMed Central

PMC publication ID

7 September 2017

Hydrogen atoms can be located accurately and precisely by x-ray crystallography

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Synthesis of Diiron(I) Dithiolato Carbonyl Complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Dihydrogen Complexation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

An iron-iron hydrogenase mimic with appended electron reservoir for efficient proton reduction in aqueous media

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Mechanism of hydrogen activation by [NiFe] hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

A strenuous experimental journey searching for spectroscopic evidence of a bridging nickel-iron-hydride in [NiFe] hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

From enzyme maturation to synthetic chemistry: the case of hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Spectroscopic Investigations of [FeFe] Hydrogenase Maturated with [(57)Fe2(adt)(CN)2(CO)4](2-)

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Diiron azadithiolates as models for the [FeFe]-hydrogenase active site and paradigm for the role of the second coordination sphere

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

N-Substituted Derivatives of the Azadithiolate Cofactor from the [FeFe] Hydrogenases: Stability and Complexation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Frustrated Lewis pair chemistry: development and perspectives

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Hydrogens detected by subatomic resolution protein crystallography in a [NiFe] hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

[FeFe]- and [NiFe]-hydrogenase diversity, mechanism, and maturation.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Direct observation of key catalytic intermediates in a photoinduced proton reduction cycle with a diiron carbonyl complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Synthesis and vibrational spectroscopy of (57)Fe-labeled models of [NiFe] hydrogenase: first direct observation of a nickel-iron interaction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Computational investigation of [FeFe]-hydrogenase models: characterization of singly and doubly protonated intermediates and mechanistic insights

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

QM/MM molecular dynamics studies of metal binding proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

How oxygen reacts with oxygen-tolerant respiratory [NiFe]-hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Refinement of macromolecular structures against neutron data with SHELXL2013.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Mechanism of nitrogen fixation by nitrogenase: the next stage

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Spontaneous activation of [FeFe]-hydrogenases by an inorganic [2Fe] active site mimic

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Crystal structures of [Fe]-hydrogenase in complex with inhibitory isocyanides: implications for the H2-activation site

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Biomimetic assembly and activation of [FeFe]-hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Coarse-graining methods for computational biology

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

NiFe] hydrogenases: a common active site for hydrogen metabolism under diverse conditions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Crystal structure of the O(2)-tolerant membrane-bound hydrogenase 1 from Escherichia coli in complex with its cognate cytochrome b

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Observation of the Fe-CN and Fe-CO vibrations in the active site of [NiFe] hydrogenase by nuclear resonance vibrational spectroscopy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Synthetic models for the active site of the [FeFe]-hydrogenase: catalytic proton reduction and the structure of the doubly protonated intermediate

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Terminal vs bridging hydrides of diiron dithiolates: protonation of Fe2(dithiolate)(CO)2(PMe3)4.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

The occurrence and representation of three-centre two-electron bonds in covalent inorganic compounds

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Connecting [NiFe]- and [FeFe]-hydrogenases: mixed-valence nickel-iron dithiolates with rotated structures

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

EPR/ENDOR, Mössbauer, and quantum-chemical investigations of diiron complexes mimicking the active oxidized state of [FeFe]hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Mixed-valence nickel-iron dithiolate models of the [NiFe]-hydrogenase active site.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Kinetic and thermodynamic acidity of hydrido transition-metal complexes. 3. Thermodynamic acidity of common mononuclear carbonyl hydrides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Combining acid-base, redox and substrate binding functionalities to give a complete model for the [FeFe]-hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Active-site models for the nickel-iron hydrogenases: effects of ligands on reactivity and catalytic properties

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Reversibility and efficiency in electrocatalytic energy conversion and lessons from enzymes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Relativistic Four-Component DFT Calculations of1H NMR Chemical Shifts in Transition-Metal Hydride Complexes: Unusual High-Field Shifts Beyond the Buckingham–Stephens Model

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experiment

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Iron acyl thiolato carbonyls: structural models for the active site of the [Fe]-hydrogenase (Hmd).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Electroreduction of dioxygen for fuel-cell applications: materials and challenges

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Artificial hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Organometallic Electrochemistry Based on Electrolytes Containing Weakly-Coordinating Fluoroarylborate Anions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Hydrogenases from methanogenic archaea, nickel, a novel cofactor, and H2 storage

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Isomerization of the hydride complexes [HFe2(SR)2(PR3)(x)(CO)(6-x)]+ (x = 2, 3, 4) relevant to the active site models for the [FeFe]-hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Density functional theory for transition metals and transition metal chemistry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

How algae produce hydrogen--news from the photosynthetic hydrogenase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Structure-function relationships of anaerobic gas-processing metalloenzymes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

The crystal structure of an [Fe]-hydrogenase-substrate complex reveals the framework for H2 activation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Structural and functional analogues of the active sites of the [Fe]-, [NiFe]-, and [FeFe]-hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

An autocatalytic mechanism for NiFe-hydrogenase: reduction to Ni(I) followed by oxidative addition

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Small molecule mimics of hydrogenases: hydrides and redox

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Dynamic electrochemical investigations of hydrogen oxidation and production by enzymes and implications for future technology

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Nitrosyl derivatives of diiron(I) dithiolates mimic the structure and Lewis acidity of the [FeFe]-hydrogenase active site.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Experimental approaches to kinetics of gas diffusion in hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

The crystal structure of [Fe]-hydrogenase reveals the geometry of the active site

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Covalent radii revisited

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Characterization of the Fe site in iron-sulfur cluster-free hydrogenase (Hmd) and of a model compound via nuclear resonance vibrational spectroscopy (NRVS).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Terminal hydride in [FeFe]-hydrogenase model has lower potential for H2 production than the isomeric bridging hydride

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Dithiomethylether as a ligand in the hydrogenase h-cluster

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Carbon dioxide activation at the Ni,Fe-cluster of anaerobic carbon monoxide dehydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Models for the hydrogenases put the focus where it should be--hydrogen.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Computational studies of [NiFe] and [FeFe] hydrogenases.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Occurrence, classification, and biological function of hydrogenases: an overview.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Fundamentals of H2 binding and reactivity on transition metals underlying hydrogenase function and H2 production and storage

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Structure/Function Relationships of [NiFe]- and [FeFe]-Hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

[NiFe] and [FeFe] hydrogenases studied by advanced magnetic resonance techniques

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Unsaturated, mixed-valence diiron dithiolate model for the H(ox) state of the [FeFe] hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

A dinuclear Ni(mu-H)Ru complex derived from H2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Investigating biological systems using first principles Car-Parrinello molecular dynamics simulations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Evidence for the formation of terminal hydrides by protonation of an asymmetric iron hydrogenase active site mimic

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

A third type of hydrogenase catalyzing H2 activation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Modulation of the electronic structure and the Ni-Fe distance in heterobimetallic models for the active site in [NiFe]hydrogenase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Trapping H- bound to the nitrogenase FeMo-cofactor active site during H2 evolution: characterization by ENDOR spectroscopy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Ultrafast chemistry: using time-resolved vibrational spectroscopy for interrogation of structural dynamics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Synthesis of the H-cluster framework of iron-only hydrogenase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Extension of the self-consistent spectrophotometric basicity scale in acetonitrile to a full span of 28 pKa units: unification of different basicity scales

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Electrocatalytic proton reduction by dithiolate-bridged diiron carbonyl complexes: a connection to the H-cluster?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

The cofactor of the iron-sulfur cluster free hydrogenase hmd: structure of the light-inactivation product

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Noncoordinating anions--fact or fiction? A survey of likely candidates

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

UV-A/blue-light inactivation of the 'metal-free' hydrogenase (Hmd) from methanogenic archaea

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Catalysis of H(2)/D(2) scrambling and other H/D exchange processes by [Fe]-hydrogenase model complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Hydrogenases: hydrogen-activating enzymes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Chemical Redox Agents for Organometallic Chemistry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Activation of dihydrogen without transition metals

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Classification and phylogeny of hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Organometallic iron: the key to biological hydrogen metabolism.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Natural engineering principles of electron tunnelling in biological oxidation-reduction

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Binding of exogenously added carbon monoxide at the active site of the iron-only hydrogenase (CpI) from Clostridium pasteurianum

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Generalized Gradient Approximation Made Simple

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Unusual ligand structure in Ni–Fe active center and an additional Mg site in hydrogenase revealed by high resolution X-ray structure analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Crystal structure of the nickel-iron hydrogenase from Desulfovibrio gigas

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

The structure and mechanism of iron-hydrogenases.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Redox active iron nitrosyl units in proton reduction electrocatalysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Elucidation of the selectivity of proton-dependent electrocatalytic CO2 reduction by fac-Re(bpy)(CO)3Cl

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

9 September 2017

Electrocatalytic proton reduction by phosphido-bridged diiron carbonyl compounds: distant relations to the H-cluster?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

14 September 2017

In search of metal hydrides: an X-ray absorption and emission study of [NiFe] hydrogenase model complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

14 September 2017

Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

14 September 2017

Investigating the Effects of Basis Set on Metal-Metal and Metal-Ligand Bond Distances in Stable Transition Metal Carbonyls: Performance of Correlation Consistent Basis Sets with 35 Density Functionals

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

14 September 2017

Arginine: Its pKa value revisited

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

14 September 2017

Importance of the protein framework for catalytic activity of [FeFe]-hydrogenases.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

14 September 2017

Electrons from hydrogen

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

14 September 2017

pH-Dependent isotope exchange and hydrogenation catalysed by water-soluble NiRu complexes as functional models for [NiFe]hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

14 September 2017

Discovery of Dark pH-Dependent H(+) Migration in a [NiFe]-Hydrogenase and Its Mechanistic Relevance: Mobilizing the Hydrido Ligand of the Ni-C Intermediate

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

25 September 2017

Benchmarking of homogeneous electrocatalysts: overpotential, turnover frequency, limiting turnover number

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

25 September 2017

Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Hydrogen activation by biomimetic [NiFe]-hydrogenase model containing protected cyanide cofactors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Direct determination of equilibrium potentials for hydrogen oxidation/production by open circuit potential measurements in acetonitrile

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Mild Redox Complementation Enables H2 Activation by [FeFe]-Hydrogenase Models

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Hydrogen oxidation catalysis by a nickel diphosphine complex with pendant tert-butyl amines

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Hydride-containing models for the active site of the nickel-iron hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Characterization of proton coupled electron transfer in a biomimetic oxomanganese complex: Evaluation of the DFT B3LYP level of theory

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Monoiron hydrogenase catalysis: hydrogen activation with the formation of a dihydrogen, Fe-H(delta-)...H(delta+)-O, bond and methenyl-H4MPT+ triggered hydride transfer

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Hydrogen activation by biomimetic diiron dithiolates

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Nickel-iron dithiolato hydrides relevant to the [NiFe]-hydrogenase active site.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Coordination chemistry of [HFe(CN)(2)(CO)(3)](-) and its derivatives: toward a model for the iron subsite of the [NiFe]-hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Aza- and oxadithiolates are probable proton relays in functional models for the [FeFe]-hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

The exchange activities of [Fe] hydrogenase (iron-sulfur-cluster-free hydrogenase) from methanogenic archaea in comparison with the exchange activities of [FeFe] and [NiFe] hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Hydrogenase: a bacterial enzyme activating molecular hydrogen: The properties of the enzyme

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

The mechanisms of H2 activation and CO binding by hydrogenase I and hydrogenase II of Clostridium pasteurianum.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

17 June 2018

Hydrogen and Dihydrogen Bonds in the Reactions of Metal Hydrides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Brønsted-Lowry Acid Strength of Metal Hydride and Dihydrogen Complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Proton Inventory and Dynamics in the Nia-S to Nia-C Transition of a [NiFe] Hydrogenase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

A Functional Model of [Fe]-Hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Detection of Transient Intermediates Generated from Subsite Analogues of [FeFe] Hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Electrochemistry of Simple Organometallic Models of Iron-Iron Hydrogenases in Organic Solvent and Water.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Reconstitution of [Fe]-hydrogenase using model complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

A High-Valent Iron(IV) Peroxo Core Derived from O2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Solvation effects on transition metal hydricity.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Iron Hydride Detection and Intramolecular Hydride Transfer in a Synthetic Model of Mono-Iron Hydrogenase with a CNS Chelate

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

DFT dissection of the reduction step in H2 catalytic production by [FeFe]-hydrogenase-inspired models: can the bridging hydride become more reactive than the terminal isomer?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Molecular electrocatalysts for oxidation of hydrogen using earth-abundant metals: shoving protons around with proton relays

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Infrared Spectroscopy During Electrocatalytic Turnover Reveals the Ni-L Active Site State During H2 Oxidation by a NiFe Hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Effect of H2 binding on the nonadiabatic transition probability between singlet and triplet states of the [NiFe]-hydrogenase active site

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Hydride binding to the active site of [FeFe]-hydrogenase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Control of the transition between Ni-C and Ni-SI(a) states by the redox state of the proximal Fe-S cluster in the catalytic cycle of [NiFe] hydrogenase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Evaluation of homogeneous electrocatalysts by cyclic voltammetry.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Electronic control of the protonation rates of Fe-Fe bonds.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

New redox states observed in [FeFe] hydrogenases reveal redox coupling within the H-cluster

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Proton-coupled electron transfer in molecular electrocatalysis: theoretical methods and design principles

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Synthesis, structural characterization, and some properties of 2-acylmethyl-6-ester group-difunctionalized pyridine-containing iron complexes related to the active site of [Fe]-hydrogenase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

New reactions of terminal hydrides on a diiron dithiolate.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Development of molecular electrocatalysts for energy storage

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Estimating the acidity of transition metal hydride and dihydrogen complexes by adding ligand acidity constants

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Synthesis and reactivity of mononuclear iron models of [Fe]-hydrogenase that contain an acylmethylpyridinol ligand.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Disclosure of key stereoelectronic factors for efficient H2 binding and cleavage in the active site of [NiFe]-hydrogenases.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Crystallographic characterization of a fully rotated, basic diiron dithiolate: model for the H(red) state?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

New Fe(I) -Fe(I) complex featuring a rotated conformation related to the [2 Fe](H) subsite of [Fe-Fe] hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Molecular dynamics study of the proposed proton transport pathways in [FeFe]-hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Excited state properties of diiron dithiolate hydrides: implications in the unsensitized photocatalysis of H2 evolution.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

The mechanism of inhibition by H2 of H2-evolution by hydrogenases.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Reactivity models of hydrogen activation by frustrated Lewis pairs: synergistic electron transfers or polarization by electric field?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

A metal-metal bond in the light-induced state of [NiFe] hydrogenases with relevance to hydrogen evolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

A functional [NiFe]hydrogenase mimic that catalyzes electron and hydride transfer from H2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Isolation of a mixed valence diiron hydride: evidence for a spectator hydride in hydrogen evolution catalysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

H2 binding and splitting on a new-generation [FeFe]-hydrogenase model featuring a redox-active decamethylferrocenyl phosphine ligand: a theoretical investigation.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

A functional [NiFe]-hydrogenase model compound that undergoes biologically relevant reversible thiolate protonation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

EPR spectroscopic studies of the Fe-S clusters in the O2-tolerant [NiFe]-hydrogenase Hyd-1 from Escherichia coli and characterization of the unique [4Fe-3S] cluster by HYSCORE.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Computational and experimental study of the mechanism of hydrogen generation from water by a molecular molybdenum-oxo electrocatalyst

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

A Theoretical Study on the Enhancement of Functionally Relevant Electron Transfers in Biomimetic Models of [FeFe]-Hydrogenases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Density Functional Theory Calculations on the Mononuclear Non-Heme Iron Active Site of Hmd Hydrogenase: Role of the Internal Ligands in Tuning External Ligand Binding and Driving H2 Heterolysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

[Fe]-hydrogenase models featuring acylmethylpyridinyl ligands

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Cyclopentadienyl ruthenium-nickel catalysts for biomimetic hydrogen evolution: electrocatalytic properties and mechanistic DFT studies

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

(14)N HYSCORE investigation of the H-cluster of [FeFe] hydrogenase: evidence for a nitrogen in the dithiol bridge.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Spectroelectrochemical characterization of the active site of the [FeFe] hydrogenase HydA1 from Chlamydomonas reinhardtii

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Calculation of one-electron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Characterization of redox states of Ru(OH(2))(Q)(tpy)(2+) (Q = 3,5-di-tert-butyl-1,2-benzoquinone, tpy = 2,2':6',2''-terpyridine) and related species through experimental and theoretical studies.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

An iron carbonyl pyridonate complex related to the active site of the [Fe]-hydrogenase (Hmd).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Influence of a pendant amine in the second coordination sphere on proton transfer at a dissymmetrically disubstituted diiron system related to the [2Fe]H subsite of [FeFe]H2ase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

A proton-hydride diiron complex with a base-containing diphosphine ligand relevant to the [FeFe]-hydrogenase active site.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Hydrogen production under aerobic conditions by membrane-bound hydrogenases from Ralstonia species

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Unusually weak metal-hydrogen bonds in HV(CO)4(P-P) and their effectiveness as H(*) donors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

[FeFe]-hydrogenase-catalyzed H2 production in a photoelectrochemical biofuel cell

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Hydrogen generation from weak acids: electrochemical and computational studies of a diiron hydrogenase mimic

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Mixed valence: origins and developments

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Iron-only hydrogenase mimics. Thermodynamic aspects of the use of electrochemistry to evaluate catalytic efficiency for hydrogen generation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

[Fe2(SR)2(mu-CO)(CNMe)6]2+ and analogues: a new class of diiron dithiolates as structural models for the H(ox)Air state of the fe-only hydrogenase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Direct Detection of a Hydrogen Ligand in the [NiFe] Center of the Regulatory H2-Sensing Hydrogenase fromRalstoniaeutrophain Its Reduced State by HYSCORE and ENDOR Spectroscopy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

DFT calculations of isomer shifts and quadrupole splitting parameters in synthetic iron-oxo complexes: applications to methane monooxygenase and ribonucleotide reductase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Dinuclear iron isonitrile complexes: models for the iron hydrogenase active site

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Single crystal EPR studies of the reduced active site of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Density functional calculations for modeling the oxidized states of the active site of nickel-iron hydrogenases. 1. Verification of the method with paramagnetic Ni and Co complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Transient FTIR spectroelectrochemical and stopped-flow detection of a mixed valence (Fe(I)-Fe(II)) bridging carbonyl intermediate with structural elements and spectroscopic characteristics of the di-iron sub-site of all-iron hydrogenase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Density functional calculations of electronic g-tensors for semiquinone radical anions. The role of hydrogen bonding and substituent effects

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Re-face stereospecificity of methylenetetrahydromethanopterin and methylenetetrahydrofolate dehydrogenases is predetermined by intrinsic properties of the substrate

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Crystallographic and FTIR spectroscopic evidence of changes in Fe coordination upon reduction of the active site of the Fe-only hydrogenase from Desulfovibrio desulfuricans.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

Catalytic electron transport in Chromatium vinosum [NiFe]-hydrogenase: application of voltammetry in detecting redox-active centers and establishing that hydrogen oxidation is very fast even at potentials close to the reversible H+/H2 value

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

22 August 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

2 December 2018

Kinetic Modeling of Hydrogen Conversion at [Fe] Hydrogenase Active-Site Models

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

2 December 2018

Computational study of the electronic structure and magnetic properties of the Ni–C state in [NiFe] hydrogenases including the second coordination sphere

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

2 December 2018

Key Hydride Vibrational Modes in [NiFe] Hydrogenase Model Compounds Studied by Resonance Raman Spectroscopy and Density Functional Calculations

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

2 December 2018

Directing protonation in [FeFe] hydrogenase active site models by modifications in their second coordination sphere

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

2 December 2018

A Unifying Structural and Electronic Concept for Hmd and [FeFe] Hydrogenase Active Sites

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

2 December 2018

Performance of Nonrelativistic and Quasi-Relativistic Hybrid DFT for the Prediction of Electric and Magnetic Hyperfine Parameters in57Fe Mössbauer Spectra

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=5026416

2 December 2018

Observation of nuclear resonant scattering accompanied by phonon excitation using synchrotron radiation

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Phonon density of states measured by inelastic nuclear resonant scattering

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Carbon Monoxide and Cyanide Ligands in a Classical Organometallic Complex Model for Fe-Only Hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Diiron Azadithiolates as Models for the Iron-Only Hydrogenase Active Site: Synthesis, Structure, and Stereoelectronics This research was supported by the NIH and the Centre Universitaire et Régional de Ressources Informatiques of ULP and CNRS

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Relativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Biomimetic hydrogen evolution catalyzed by an iron carbonyl thiolate

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe−X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Acidic Dicationic Iron(II) Dihydrogen Complexes and Compounds Related by H(2) Substitution

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The [NiFe] hydrogenase from Allochromatium vinosum studied in EPR-detectable states: H/D exchange experiments that yield new information about the structure of the active site

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-spin Ni(II), a surprisingly good structural model for [NiFe] hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Iron carbonyl sulfides, formaldehyde, and amines condense to give the proposed azadithiolate cofactor of the Fe-only hydrogenases

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operators

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

(57)Fe Mössbauer isomer shifts of heme protein model systems: electronic structure calculations

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Direct comparison of the electrocatalytic oxidation of hydrogen by an enzyme and a platinum catalyst

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

New class of diiron dithiolates related to the Fe-only hydrogenase active site: synthesis and characterization of [Fe2(SR)(2)(CNMe)7]2+

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Using ligand bite angles to control the hydricity of palladium diphosphine complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Relativistic DFT calculation of the reaction cycle intermediates of [NiFe] hydrogenase: a contribution to understanding the enzymatic mechanism

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Inhibition and Aerobic Inactivation Kinetics ofDesulfovibrio fructosovoransNiFe Hydrogenase Studied by Protein Film Voltammetry

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Dihydrogen activation by a diruthenium analogue of the Fe-only hydrogenase active site

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Carbon monoxide as an intrinsic ligand to iron in the active site of the iron-sulfur-cluster-free hydrogenase H2-forming methylenetetrahydromethanopterin dehydrogenase as revealed by infrared spectroscopy

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Electron transfer at a dithiolate-bridged diiron assembly: electrocatalytic hydrogen evolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On the relationship between affinity for molecular hydrogen and the physiological directionality of hydrogenases

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Efficient and accurate approximations to the molecular spin-orbit coupling operator and their use in molecular g-tensor calculations

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Dual Electron Uptake by Simultaneous Iron and Ligand Reduction in an N-Heterocyclic Carbene Substituted [FeFe] Hydrogenase Model Compound

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Characterization of a diferrous terminal hydride mechanistically relevant to the Fe-only hydrogenases

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An insight into the protonation property of a diiron azadithiolate complex pertinent to the active site of Fe-only hydrogenases

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Spectroelectrochemical characterization of the [NiFe] hydrogenase of Desulfovibrio vulgaris Miyazaki F

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: the simplest functional model of the Fe-hydrogenase active site

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Performance of density functionals for first row transition metal systems

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A Mixed-Valent, Fe(II)Fe(I), Diiron Complex Reproduces the Unique Rotated State of the [FeFe]Hydrogenase Active Site

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The electronic structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans: a Q-band 57Fe-ENDOR and HYSCORE study

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Electrochemical insights into the mechanisms of proton reduction by [Fe2(CO)6{micro-SCH2N(R)CH2S}] complexes related to the [2Fe](H) subsite of [FeFe]hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

[FeFe]-hydrogenase models and hydrogen: oxidative addition of dihydrogen and silanes

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Unveiling how stereoelectronic factors affect kinetics and thermodynamics of protonation regiochemistry in [FeFe] hydrogenase synthetic models: a DFT investigation

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Hydrogenase cluster biosynthesis: organometallic chemistry nature's way

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

(I,0) Mixed-valence state of a diiron complex with pertinence to the [FeFe]-hydrogenase active site: an IR, EPR, and computational study

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-turnover photochemical hydrogen production catalyzed by a model complex of the [FeFe]-hydrogenase active site

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Mechanism of heterolysis of H2 by an unsaturated d8 nickel center: via tetravalent nickel?

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The third hydrogenase: a ferracyclic carbamoyl with close structural analogy to the active site of Hmd

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A nickel(II)-sulfur-based radical-ligand complex as a functional model of hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A carbonyl-rich bridging hydride complex relevant to the Fe-Fe hydrogenase active site

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

DFT characterization of the reaction pathways for terminal- to μ-hydride isomerisation in synthetic models of the [FeFe]-hydrogenase active site

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

H2 evolution and molecular electrocatalysts: determination of overpotentials and effect of homoconjugation

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Carbon monoxide dehydrogenase reaction mechanism: a likely case of abnormal CO2 insertion to a Ni-H(-) bond.

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

CO Disrupts the Reduced H-Cluster of FeFe Hydrogenase. A Combined DFT and Protein Film Voltammetry Study

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A Five-Coordinate Iron Center in the Active Site of [Fe]-Hydrogenase: Hints from a Model Study

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular catalysis in a fuel cell

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Theoretical analysis of mechanistic pathways for hydrogen evolution catalyzed by cobaloximes

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Paramagnetic bridging hydrides of relevance to catalytic hydrogen evolution at metallosulfur centers

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Proton Transport Pathways in [NiFe]-Hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Turnover numbers, turnover frequencies, and overpotential in molecular catalysis of electrochemical reactions. Cyclic voltammetry and preparative-scale electrolysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Biomimetic models for the active site of [Fe]hydrogenase featuring an acylmethyl(hydroxymethyl)pyridine ligand

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification and characterization of the "super-reduced" state of the H-cluster in [FeFe] hydrogenase: a new building block for the catalytic cycle?

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis, structure, and reactivity of a nickel dihydrogen complex

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Catalytic activation of H2 under mild conditions by an [FeFe]-hydrogenase model via an active μ-hydride species

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis, structural characterization, and electrochemical properties of dinuclear Ni/Mn model complexes for the active site of [NiFe]-hydrogenases

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Hydrogenase biomimetics: Fe2(CO)4(μ-dppf)(μ-pdt) (dppf = 1,1'-bis(diphenylphosphino)ferrocene) both a proton-reduction and hydrogen oxidation catalyst

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Production of hydrogen by electrocatalysis: making the H-H bond by combining protons and hydrides

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Accurate calculations of geometries and singlet–triplet energy differences for active-site models of [NiFe] hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ni(I)/Ru(II) model for the Ni-L state of the [NiFe]hydrogenases: synthesis, spectroscopy, and reactivity

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

[NiFe] hydrogenases: how close do structural and functional mimics approach the active site?

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Electrochemical reduction of Brønsted acids by glassy carbon in acetonitrile-implications for electrocatalytic hydrogen evolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Modulation of active site electronic structure by the protein matrix to control [NiFe] hydrogenase reactivity

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Investigations on the role of proton-coupled electron transfer in hydrogen activation by [FeFe]-hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Functional model for the [Fe] hydrogenase inspired by the frustrated Lewis pair concept

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Hydrogen generation: aromatic dithiolate-bridged metal carbonyl complexes as hydrogenase catalytic site models

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Hybrid [FeFe]-hydrogenases with modified active sites show remarkable residual enzymatic activity

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Proton-coupled electron transfer dynamics in the catalytic mechanism of a [NiFe]-hydrogenase

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

FT-IR Characterization of the Light-Induced Ni-L2 and Ni-L3 States of [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Metallodithiolates as Ligands in Coordination, Bioinorganic, and Organometallic Chemistry

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Nickel-Iron Hydrogenases: High-Resolution Crystallography Resolves the Hydride, but Not the Debate

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Protonation states of intermediates in the reaction mechanism of [NiFe] hydrogenase studied by computational methods

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Metal-free electrocatalytic hydrogen oxidation using frustrated Lewis pairs and carbon-based Lewis acids

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A noble metal-free proton-exchange membrane fuel cell based on bio-inspired molecular catalysts.

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A structural view of synthetic cofactor integration into [FeFe]-hydrogenases.

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Kinetic studies on hydrogenase. Parahydrogen-orthohydrogen conversion and hydrogen-deuterium exchange reactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Tetrahydromethanopterin, a carbon carrier in methanogenesis

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Carbon Monoxide and Cyanide as Intrinsic Ligands to Iron in the Active Site of [NiFe]-Hydrogenases

1 reference

https://pubmed.ncbi.nlm.nih.gov/27353631

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/ACS.CHEMREV.6B00180

1 reference

Europe PubMed Central

PMC publication ID

7 September 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

7 September 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

7 September 2017

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