Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study (Q39371280)

From Wikidata

Jump to navigation Jump to search

scientific article

Language	Label	Description	Also known as
English	Towards [NiFe]-hydrogenase biomimetic models that couple H2 binding with functionally relevant intramolecular electron transfers: a quantum chemical study	scientific article

Statements

scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

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

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

0 references

author name string

Claudio Greco

1

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

language of work or name

0 references

publication date

6 August 2013

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

Dalton Transactions

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

42

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

38

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

13845-13854

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Oxygen-tolerant hydrogenases in hydrogen-based technologies.

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

X-ray crystal structure of the Fe-only hydrogenase (CpI) from Clostridium pasteurianum to 1.8 angstrom resolution

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Dithiomethylether as a ligand in the hydrogenase h-cluster

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Crystal structure of the nickel-iron hydrogenase from Desulfovibrio gigas

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Artificial hydrogenases

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Activation and inactivation of hydrogenase function and the catalytic cycle: spectroelectrochemical studies.

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Electrochemical definitions of O2 sensitivity and oxidative inactivation in hydrogenases.

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Structural studies of the carbon monoxide complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: suggestion for the initial activation site for dihydrogen

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Mechanistic and Physiological Implications of the Interplay among Iron–Sulfur Clusters in [FeFe]-Hydrogenases. A QM/MM Perspective

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

[NiFe]-hydrogenases: spectroscopic and electrochemical definition of reactions and intermediates

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Insights into [FeFe]-hydrogenase structure, mechanism, and maturation

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Structural basis for a [4Fe-3S] cluster in the oxygen-tolerant membrane-bound [NiFe]-hydrogenase

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Non-innocent bma ligand in a dissymetrically disubstituted diiron dithiolate related to the active site of the [FeFe] hydrogenases.

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Design, synthesis and characterization of a modular bridging ligand platform for bio-inspired hydrogen production

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Hydrogen activation by biomimetic diiron dithiolates

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Studies on hydrogenase

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Targeting intermediates of [FeFe]-hydrogenase by CO and CN vibrational signatures.

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Electronic structure calculations on workstation computers: The program system turbomole

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Electron delocalization and magnetic state of doubly-reduced polyoxometalates

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 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://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

The roles of the first and second coordination spheres in the design of molecular catalysts for H2 production and oxidation

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

The active site and catalytic mechanism of NiFe hydrogenases

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Hydrogenases and oxygen

1 reference

https://api.crossref.org/works/10.1039%2FC3DT50836F

21 January 2018

Identifiers

10.1039/C3DT50836F

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

11 September 2017

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q39371280&oldid=1823307540"