(Q79866415)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16830147%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

title

The performance of hybrid DFT for mechanisms involving transition metal complexes in enzymes (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16830147%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

author name string

Per E M Siegbahn

series ordinal

1

1 reference

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26 December 2019

publication date

8 July 2006

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16830147%20AND%20SRC:MED&resulttype=core&format=json

Journal of Biological Inorganic Chemistry

26 December 2019

published in

1 reference

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26 December 2019

volume

11

1 reference

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26 December 2019

issue

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16830147%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

page(s)

695-701

1 reference

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https://scigraph.springernature.com/pub.10.1007/s00775-006-0137-2

26 December 2019

exact match

0 references

cites work

Ionization potentials and electron affinities in the Perdew-Zunger self-interaction corrected density-functional theory

1 reference

12 December 2020

A localized orbital analysis of the thermochemical errors in hybrid density functional theory: achieving chemical accuracy via a simple empirical correction scheme

1 reference

12 December 2020

Mechanisms of metalloenzymes studied by quantum chemical methods

1 reference

12 December 2020

Quantifying the effects of the self-interaction error in DFT: when do the delocalized states appear?

1 reference

12 December 2020

Quantum chemistry applied to the mechanisms of transition metal containing enzymes -- cytochrome c oxidase, a particularly challenging case

1 reference

12 December 2020

High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report.

1 reference

12 December 2020

Mechanism for catechol ring-cleavage by non-heme iron extradiol dioxygenases

1 reference

12 December 2020

The Rate of O2and CO Binding to a Copper Complex, Determined by a “Flash-and-Trap” Technique, Exceeds that for Hemes

1 reference

12 December 2020

Crystallographic analysis of oxygenated and deoxygenated states of arthropod hemocyanin shows unusual differences

1 reference

12 December 2020

A comparison of the thermodynamics of O[bond]O cleavage for dicopper complexes in enzymes and synthetic systems

1 reference

12 December 2020

Modeling the Peroxide/Superoxide Continuum in 1:1 Side-on Adducts of O2with Cu

1 reference

12 December 2020

Density functional study of the O2 binding to [CuI(TPAR)]+ (TPA = tris(2-pyridylmethyl)amine) in THF and EtCN.

1 reference

12 December 2020

A theoretical study on the binding of O(2), NO and CO to heme proteins

1 reference

12 December 2020

Optimized spin crossings and transition states for short-range electron transfer in transition metal dimers

1 reference

12 December 2020

Density functional theory of biologically relevant metal centers.

1 reference

12 December 2020

Theoretical Models on the Cu2O2Torture Track: Mechanistic Implications for Oxytyrosinase and Small-Molecule Analogues

1 reference

12 December 2020

Agreement between experiment and hybrid DFT calculations for O--H bond dissociation enthalpies in manganese complexes

1 reference

12 December 2020

The catalytic cycle of tyrosinase: peroxide attack on the phenolate ring followed by O[bond]O cleavage

1 reference

12 December 2020

A theoretical study on nitric oxide reductase activity in a ba(3)-type heme-copper oxidase.

1 reference

12 December 2020

Copper(I)-dioxygen reactivity of [(L)Cu(I)](+) (L = tris(2-pyridylmethyl)amine): kinetic/thermodynamic and spectroscopic studies concerning the formation of Cu-O2 and Cu2-O2 adducts as a function of solvent medium and 4-pyridyl ligand substituent va

1 reference

12 December 2020

Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution

1 reference

12 December 2020

10.1007/S00775-006-0137-2

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16830147%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

1 reference