(Q58227383)

English

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): effects of oxidation state, spin state, and coordination number

scientific article published on 01 January 2013

In more languages

default for all languages

No label defined

No description defined

Statements

scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): effects of oxidation state, spin state, and coordination number (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

1 reference

based on heuristic

inferred from title

1

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

Yoshihito Shiota

2

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

author name string

Kazunari Yoshizawa

3

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

language of work or name

0 references

publication date

1 January 2013

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

Dalton Transactions

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

42

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

4

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

1011-1023

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological oxidation of methane

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Soluble methane monooxygenase: activation of dioxygen and methane

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Why OrfY? Characterization of MMOD, a long overlooked component of the soluble methane monooxygenase from Methylococcus capsulatus (Bath).

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Quantum chemical studies of intermediates and reaction pathways in selected enzymes and catalytic synthetic systems

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Kinetics and Activation Thermodynamics of Methane Monooxygenase CompoundQFormation and Reaction with Substrates†

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Dioxygen activation in soluble methane monooxygenase

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

An Fe2IVO2 Diamond Core Structure for the Key Intermediate Q of Methane Monooxygenase

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Conversion of Methane to Methanol on Diiron and Dicopper Enzyme Models of Methane Monooxygenase: A Theoretical Study on a Concerted Reaction Pathway

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

A non-radical mechanism for methane hydroxylation at the diiron active site of soluble methane monooxygenase

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Nonradical mechanism for methane hydroxylation by iron-oxo complexes

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Mechanism of the Methane → Methanol Conversion Reaction Catalyzed by Methane Monooxygenase: A Density Functional Study

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Theoretical study of the mechanism of alkane hydroxylation and ethylene epoxidation reactions catalyzed by diiron bis-oxo complexes. The effect of substrate molecules

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Activation of the C-H bond of methane by intermediate Q of methane monooxygenase: a theoretical study.

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Mechanistic studies on the hydroxylation of methane by methane monooxygenase.

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

C-H bond activation in transition metal species from a computational perspective

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Gas-phase activation of methane by ligated transition-metal cations

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Methane-to-Methanol Conversion by First-Row Transition-Metal Oxide Ions: ScO+, TiO+, VO+, CrO+, MnO+, FeO+, CoO+, NiO+, and CuO+

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Synthetic iron-oxo "diamond core" mimics structure of key intermediate in methane monooxygenase catalytic cycle

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

A synthetic precedent for the [FeIV2(mu-O)2] diamond core proposed for methane monooxygenase intermediate Q.

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Million-fold activation of the [Fe(2)(micro-O)(2)] diamond core for C-H bond cleavage

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Substrate-triggered activation of a synthetic [Fe2(μ-O)2] diamond core for C-H bond cleavage

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Quantum chemical approach to the mechanism for the biological conversion of tyrosine to dopaquinone

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Using Hessian Updating To Increase the Efficiency of a Hessian Based Predictor-Corrector Reaction Path Following Method

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Continuous surface charge polarizable continuum models of solvation. I. General formalism

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Reparameterization of hybrid functionals based on energy differences of states of different multiplicity

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Assertion and validation of the performance of the B3LYP⋆ functional for the first transition metal row and the G2 test set

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Electronic Structure of Trigonal-Planar Transition-Metal-Imido Complexes: Spin-State Energetics, Spin-Density Profiles, and the Remarkable Performance of the OLYP Functional.

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Accurate Spin-State Energies for Iron Complexes

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Validation of Exchange−Correlation Functionals for Spin States of Iron Complexes

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Crystal structures of the soluble methane monooxygenase hydroxylase from Methylococcus capsulatus (Bath) demonstrating geometrical variability at the dinuclear iron active site

1 reference

https://api.crossref.org/works/10.1039%2FC2DT31304A

21 January 2018

Identifiers

10.1039/C2DT31304A

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23108153%20AND%20SRC:MED&resulttype=core&format=json

16 February 2020

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=Q58227383&oldid=1834921253"