(Q36012380)

11 August 2017

Comments on the nature of the bonding in oxygenated dinuclear copper enzyme models (English)

1 reference

11 August 2017

Jean-Philip Piquemal

1

1 reference

PMC publication ID

1993802

11 August 2017

Julien Pilmé

series ordinal

2

1 reference

11 August 2017

1 May 2006

1 reference

Journal of Molecular Structure

11 August 2017

1 reference

11 August 2017

764

1 reference

11 August 2017

1-3

1 reference

11 August 2017

77-86

1 reference

Chemical bonding in hypervalent molecules: is the octet rule relevant?

11 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

The crystal structure of catechol oxidase: new insight into the function of type-3 copper proteins

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Dicopper(I) complexes of unsymmetrical binucleating ligands and their dioxygen reactivities

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Density-functional exchange-energy approximation with correct asymptotic behavior

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Crystal structure of a plant catechol oxidase containing a dicopper center

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Inhibition of mushroom tyrosinase by 3-amino-L-tyrosine: molecular probing of the active site of the enzyme

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (M(p+) = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+).

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

A CSOV study of the difference between HF and DFT intermolecular interaction energy values: the importance of the charge transfer contribution

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Quantum chemical studies of redox-active enzymes

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Spectroscopic and electronic structure studies of the diamagnetic side-on CuII-superoxo complex Cu(O2)[HB(3-R-5-iPrpz)3]: antiferromagnetic coupling versus covalent delocalization

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Frontier molecular orbital analysis of Cu(n)-O(2) reactivity.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

Oxygenation of phenols to catechols by a (mu-eta 2:eta 2-peroxo)dicopper(II) complex: mechanistic insight into the phenolase activity of tyrosinase

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

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

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1993802

EPR study of the dinuclear active copper site of tyrosinase from Streptomyces antibioticus

14 November 2018

1 reference

12 December 2020

Comparative study of the bonding in the first series of transition metal 1:1 complexes M-L (M = Sc, ..., Cu; L = CO, N(2), C(2)H(2), CN(-), NH(3), H(2)O, and F(-))

1 reference

12 December 2020

Does the Mode of Dioxygen Binding to Dinuclear Copper Complexes Depend on the Spectator Nitrogen-Containing Ligands? An ab Initio Theoretical Study

1 reference

12 December 2020

Inhibitor binding to the binuclear active site of tyrosinase: temperature, pH, and solvent deuterium isotope effects

1 reference

12 December 2020

Reversible dioxygen binding and phenol oxygenation in a tyrosinase model system

1 reference

12 December 2020

A DFT Theoretical Analysis of Aldehyde Condensation Pathways onto Methyllithium, Lithium Dimethylamide, and Their Aggregates

1 reference

12 December 2020

10.1016/J.THEOCHEM.2006.02.013

Identifiers

DOI

1 reference

11 August 2017

1 reference

PMC publication ID

1993802

11 August 2017

PubMed publication ID

17893747

1 reference

PMC publication ID

1993802