UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 237

Sortiert nach

Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase

Journal of computational chemistry, 2013-10, Vol.34 (27), p.2389-2397

2013

Link zum Volltext

Verfügbarkeit prüfen

Ligand‐assisted Hydride Transfer: A Pivotal Step for CO2 Hydroboration Catalyzed by a Mononuclear Mn(I) PNP Complex

Chemistry, an Asian journal, 2021-09, Vol.16 (17), p.2529-2537

2021

Link zum Volltext

Verfügbarkeit prüfen

Water Oxidation Catalyzed by a Bioinspired Tetranuclear Manganese Complex: Mechanistic Study and Prediction

ChemSusChem, 2022-08, Vol.15 (15), p.e202200187-n/a

2022

Link zum Volltext

Verfügbarkeit prüfen

Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution

Angewandte Chemie (International ed.), 2015-04, Vol.54 (16), p.4909-4914

International ed. in English, 2015

Link zum Volltext

Verfügbarkeit prüfen

Quantum Chemical Studies of Mechanisms for Metalloenzymes

Chemical reviews, 2014-04, Vol.114 (7), p.3601-3658

2014

Link zum Volltext

Verfügbarkeit prüfen

Controlled partial transfer hydrogenation of quinolines by cobalt-amido cooperative catalysis

Nature communications, 2020-03, Vol.11 (1), p.1249-1249, Article 1249

2020

Link zum Volltext

Verfügbarkeit prüfen

Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis

ChemSusChem, 2017-11, Vol.10 (22), p.4236-4263

2017

Link zum Volltext

Verfügbarkeit prüfen

Sequential C−H Methylation Catalyzed by the B12‐Dependent SAM Enzyme TokK: Comprehensive Theoretical Study of Selectivities

Chemistry : a European journal, 2023-02, Vol.29 (7), p.e202202995-n/a

2023

Link zum Volltext

Verfügbarkeit prüfen

Mechanistic Insights into the Synergistic Effect of Palladium(0) and Copper(I) on the Selective Transformation of Isocyanate to Indole

Chemistry, an Asian journal, 2023-04, Vol.18 (7), p.e202201259-n/a

2023

Link zum Volltext

Verfügbarkeit prüfen

Site‐Selective N‐1 and C‐3 Heteroarylation of Indole with Heteroarylnitriles by Organocatalysis under Visible Light

Angewandte Chemie (International ed.), 2022-03, Vol.61 (10), p.e202116421-n/a

International ed. in English, 2022

Link zum Volltext

Verfügbarkeit prüfen

Iron‐Catalyzed Water Oxidation: O–O Bond Formation via Intramolecular Oxo–Oxo Interaction

Angewandte Chemie (International ed.), 2021-05, Vol.60 (22), p.12467-12474

International ed. in English, 2021

Link zum Volltext

Verfügbarkeit prüfen

Capturing the Role of Phosphate in the Ni‐PY5 Catalyzed Water Oxidation

ChemCatChem, 2020-01, Vol.12 (1), p.219-226

2020

Link zum Volltext

Verfügbarkeit prüfen

Ring-closing C-O/C-O metathesis of ethers with primary aliphatic alcohols

Nature communications, 2023-04, Vol.14 (1), p.1883-1883, Article 1883

2023

Link zum Volltext

Verfügbarkeit prüfen

QM/MM Study of the Mechanism of the Noncanonical S-Cγ Bond Scission in S-Adenosylmethionine Catalyzed by the CmnDph2 Radical Enzyme

Topics in catalysis, 2022-02, Vol.65 (1-4), p.517-527

2022

Link zum Volltext

Verfügbarkeit prüfen

Mechanistic Insights Into Iron(II) Bis(pyridyl)amine‐Bipyridine Skeleton for Selective CO2 Photoreduction

Angewandte Chemie (International ed.), 2021-12, Vol.60 (50), p.26072-26079

International ed. in English, 2021

Link zum Volltext

Verfügbarkeit prüfen

Acylhydrazone Switches: E/Z Stability Reversed by Introduction of Hydrogen Bonds

European journal of organic chemistry, 2018-12, Vol.2018 (48), p.7046-7050

2018

Link zum Volltext

Verfügbarkeit prüfen

Mechanism of photocatalytic CO2 reduction to HCO2H by a robust multifunctional iridium complex

Dalton transactions : an international journal of inorganic chemistry, 2024-01, Vol.53 (2), p.684-698

2024

Link zum Volltext

Verfügbarkeit prüfen

Expanding the Promiscuity of a Copper‐Dependent Oxidase for Enantioselective Cross‐Coupling of Indoles

Angewandte Chemie (International ed.), 2023-04, Vol.62 (16), p.e202219034-n/a

International ed. in English, 2023

Link zum Volltext

Verfügbarkeit prüfen

Catalytic Atroposelective Electrophilic Amination of Indoles

Angewandte Chemie (International ed.), 2022-08, Vol.61 (31), p.e202205159-n/a

International ed. in English, 2022

Link zum Volltext

Verfügbarkeit prüfen

Pivotal Role of Geometry Regulation on O−O Bond Formation Mechanism of Bimetallic Water Oxidation Catalysts

Angewandte Chemie (International ed.), 2024-02, Vol.63 (9), p.e202317514-n/a

International ed. in English, 2024

Link zum Volltext

Verfügbarkeit prüfen

Elucidating the Role of Aqueous Solvent in an Iron‐Based Water Oxidation System by DFT‐based Molecular Simulation

ChemCatChem, 2021-10, Vol.13 (19), p.4251-4259

2021

Link zum Volltext

Verfügbarkeit prüfen

A Parent Iron Amido Complex in Catalysis of Ammonia Oxidation

Journal of the American Chemical Society, 2022-03, Vol.144 (10), p.4365-4375

2022

Link zum Volltext

Verfügbarkeit prüfen

Reaction mechanism of hydrogen evolution catalysed by Co and Fe complexes containing a tetra-dentate phosphine ligand - a DFT study

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (48), p.32589-32596

2017

Link zum Volltext

Verfügbarkeit prüfen

Energetics for the Mechanism of Nickel-Containing Carbon Monoxide Dehydrogenase

Inorganic chemistry, 2019-06, Vol.58 (12), p.7931-7938

2019

Link zum Volltext

Verfügbarkeit prüfen

Energetics for Proton Reduction in FeFe Hydrogenase

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-12, Vol.124 (50), p.10540-10549

2020

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 237

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(227)
Mit Volltextzugriff
(233)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(2)
... seit 90 Tagen
(5)

Menü

Weitere Dienste

Einstellungen

Convergence in the QM-only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase

Ligand‐assisted Hydride Transfer: A Pivotal Step for CO2 Hydroboration Catalyzed by a Mononuclear Mn(I) PNP Complex

Water Oxidation Catalyzed by a Bioinspired Tetranuclear Manganese Complex: Mechanistic Study and Prediction

Electrocatalytic Water Oxidation by a Dinuclear Copper Complex in a Neutral Aqueous Solution

Quantum Chemical Studies of Mechanisms for Metalloenzymes

Controlled partial transfer hydrogenation of quinolines by cobalt-amido cooperative catalysis

Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis

Sequential C−H Methylation Catalyzed by the B12‐Dependent SAM Enzyme TokK: Comprehensive Theoretical Study of Selectivities

Mechanistic Insights into the Synergistic Effect of Palladium(0) and Copper(I) on the Selective Transformation of Isocyanate to Indole

Site‐Selective N‐1 and C‐3 Heteroarylation of Indole with Heteroarylnitriles by Organocatalysis under Visible Light

Iron‐Catalyzed Water Oxidation: O–O Bond Formation via Intramolecular Oxo–Oxo Interaction

Capturing the Role of Phosphate in the Ni‐PY5 Catalyzed Water Oxidation

Ring-closing C-O/C-O metathesis of ethers with primary aliphatic alcohols

QM/MM Study of the Mechanism of the Noncanonical S-Cγ Bond Scission in S-Adenosylmethionine Catalyzed by the CmnDph2 Radical Enzyme

Mechanistic Insights Into Iron(II) Bis(pyridyl)amine‐Bipyridine Skeleton for Selective CO2 Photoreduction

Acylhydrazone Switches: E/Z Stability Reversed by Introduction of Hydrogen Bonds

Mechanism of photocatalytic CO2 reduction to HCO2H by a robust multifunctional iridium complex

Expanding the Promiscuity of a Copper‐Dependent Oxidase for Enantioselective Cross‐Coupling of Indoles

Catalytic Atroposelective Electrophilic Amination of Indoles

Pivotal Role of Geometry Regulation on O−O Bond Formation Mechanism of Bimetallic Water Oxidation Catalysts

Elucidating the Role of Aqueous Solvent in an Iron‐Based Water Oxidation System by DFT‐based Molecular Simulation

A Parent Iron Amido Complex in Catalysis of Ammonia Oxidation

Reaction mechanism of hydrogen evolution catalysed by Co and Fe complexes containing a tetra-dentate phosphine ligand - a DFT study

Energetics for the Mechanism of Nickel-Containing Carbon Monoxide Dehydrogenase

Energetics for Proton Reduction in FeFe Hydrogenase

Suchergebnisse filtern