Lista de obras - Natalie Fey - Dominio Público Uruguay

A Simple and Broadly Applicable C-N Bond Forming Dearomatization Protocol Enabled by Bifunctional Amino Reagents

artículo científico publicado en 2017

A computational study of phosphine ligand effects in Suzuki–Miyaura coupling☆

A ligand knowledge base for carbenes (LKB-C): maps of ligand space

artículo científico publicado en 2009

A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines

artículo científico publicado en 2006

Accurate modelling of Pd(0) + PhX oxidative addition kinetics ⬇️

artículo científico publicado el 20 de octubre de 2010

Adding Value to Crystallographically-Derived Knowledge Bases†

scientific article published on 01 March 2006

Anatomy of phobanes. diastereoselective synthesis of the three isomers of n-butylphobane and a comparison of their donor properties

artículo científico publicado en 2009

Asymmetric and Geometry-Selective α-Alkenylation of α-Amino Acids

artículo científico publicado en 2019

Biocatalytic Routes to Lactone Monomers for Polymer Production.

artículo científico publicado en 2018

Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus(III)-donor ligands and the metal–phosphorus bond

article published in 2009

Computational Descriptors for Chelating P,P- and P,N-Donor Ligands1

Computational Ligand Descriptors for Catalyst Design

scientific article published on 25 February 2019

Computational mapping of redox-switchable metal complexes based on ferrocene derivatives

scientific article published on 01 June 2019

Computational study of PtBu3 as ligand in the palladium-catalysed amination of phenylbromide with morpholine☆

Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalysts

artículo científico publicado en 2014

Conformational Properties of Substituted Ferrocenes: Experimental and Theoretical Studies of the Molecular Structures of 1,1‘-Di-tert-butylferrocene and Isopropylferrocene

Cooperative Lewis Pairs Based on Late Transition Metals: Activation of Small Molecules by Platinum(0) and B(C6F5)3

artículo científico publicado en 2014

Counterintuitive kinetics in Tsuji-Trost allylation: ion-pair partitioning and implications for asymmetric catalysis

artículo científico publicado en 2008

Cryptocatalytic 1,2-Alkene Migration in a σ-Alkyl Palladium Diene Complex

scientific article published on 01 January 2009

Delineating Poly(Aniline) Redox Chemistry by Using Tailored Oligo(Aryleneamine)s: Towards Oligo(Aniline)-Based Organic Semiconductors with Tunable Optoelectronic Properties

artículo científico publicado en 2011

Development of a Ligand Knowledge Base, Part 1: Computational Descriptors for Phosphorus Donor Ligands

scientific article published on 01 December 2005

Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis ⬇️

artículo científico publicado en 2015

DommiMOE: An implementation of ligand field molecular mechanics in the molecular operating environment

article

Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP).

artículo científico publicado en 2012

Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P)†

article published in 2010

Exploring Redox States, Doping and Ordering of Electroactive Star-Shaped Oligo(aniline)s.

artículo científico publicado en 2016

Heavily Substituted Atropisomeric Diarylamines by Unactivated Smiles Rearrangement of N-Aryl Anthranilamides

artículo científico publicado en 2017

Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF.

artículo científico publicado en 2003

Inorganic Triphenylphosphine

artículo científico publicado en 2018

Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1

artículo científico publicado en 2017

Lost in chemical space? Maps to support organometallic catalysis

artículo científico

Mapping the properties of bidentate ligands with calculated descriptors (LKB-bid)

artículo científico publicado en 2020

Near-Infrared Luminescence from Platinum(II) Diimine Compounds

scientific article published on 01 August 2006

On the Basicity of Carboranylphosphines

artículo científico publicado en 2019

Organometallic reactivity: the role of metal–ligand bond energies from a computational perspective ⬇️

artículo científico publicado el 19 de agosto de 2011

Photophysical properties of platinum(II)-acetylide complexes: the effect of a strongly electron-accepting diimine ligand on excited-state structure.

artículo científico publicado en 2008

Remarkably reactive dihydroindoloindoles via palladium-catalysed dearomatisation

scientific article published on 16 February 2011

Resistance to the "last resort" antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes

artículo científico publicado en 2020

Screening substituent and backbone effects on the properties of bidentate P,P-donor ligands (LKB-PPscreen)

artículo científico publicado en 2013

Self-Assembly of a Functional Oligo(Aniline)-Based Amphiphile into Helical Conductive Nanowires

artículo científico publicado en 2015

Spectroscopic, structural and computational analysis of [Re(CO)3(dippM)Br](n+) (dippM = 1,1'-bis(diiso-propylphosphino)metallocene, M = Fe, n = 0 or 1; M = Co, n = 1).

artículo científico publicado en 2016

Stable Fluorophosphines: Predicted and Realized Ligands for Catalysis

artículo científico publicado en 2011

Statistical modeling of a ligand knowledge base

artículo científico publicado en 2006

Structural Fluctuations in Enzyme-Catalyzed Reactions: Determinants of Reactivity in Fatty Acid Amide Hydrolase from Multivariate Statistical Analysis of Quantum Mechanics/Molecular Mechanics Paths

artículo científico publicado en 2010

Synthesis, structures and properties of a new series of platinum-diimine-dithiolate complexes

artículo científico publicado en 2007

The Computational Road to Better Catalysts

article

The contribution of computational studies to organometallic catalysis: descriptors, mechanisms and models

artículo científico publicado en 2009

The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes

artículo científico publicado en 2004

Tipping the polaron–bipolaron balance: concentration and spin effects in doped oligo(aniline)s observed by UV-vis-NIR and TD-DFT

artículo científico publicado en 2019

Using Metal Vinylidene Complexes to Probe the Partnership Between Theory and Experiment

artículo científico publicado en 2014

Visible-Light-Driven Strain-Increase Ring Contraction Allows the Synthesis of Cyclobutyl Boronic Esters

scientific article published on 31 January 2020

Lista de obras de Natalie Fey

A Simple and Broadly Applicable C-N Bond Forming Dearomatization Protocol Enabled by Bifunctional Amino Reagents

A computational study of phosphine ligand effects in Suzuki–Miyaura coupling☆

A ligand knowledge base for carbenes (LKB-C): maps of ligand space

A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines

Accurate modelling of Pd(0) + PhX oxidative addition kinetics ⬇️

Adding Value to Crystallographically-Derived Knowledge Bases†

Anatomy of phobanes. diastereoselective synthesis of the three isomers of n-butylphobane and a comparison of their donor properties

Asymmetric and Geometry-Selective α-Alkenylation of α-Amino Acids

Biocatalytic Routes to Lactone Monomers for Polymer Production.

Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus(III)-donor ligands and the metal–phosphorus bond

Computational Descriptors for Chelating P,P- and P,N-Donor Ligands1

Computational Ligand Descriptors for Catalyst Design

Computational mapping of redox-switchable metal complexes based on ferrocene derivatives

Computational study of PtBu3 as ligand in the palladium-catalysed amination of phenylbromide with morpholine☆

Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalysts

Conformational Properties of Substituted Ferrocenes: Experimental and Theoretical Studies of the Molecular Structures of 1,1‘-Di-tert-butylferrocene and Isopropylferrocene

Cooperative Lewis Pairs Based on Late Transition Metals: Activation of Small Molecules by Platinum(0) and B(C6F5)3

Counterintuitive kinetics in Tsuji-Trost allylation: ion-pair partitioning and implications for asymmetric catalysis

Cryptocatalytic 1,2-Alkene Migration in a σ-Alkyl Palladium Diene Complex

Delineating Poly(Aniline) Redox Chemistry by Using Tailored Oligo(Aryleneamine)s: Towards Oligo(Aniline)-Based Organic Semiconductors with Tunable Optoelectronic Properties

Development of a Ligand Knowledge Base, Part 1: Computational Descriptors for Phosphorus Donor Ligands

Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis ⬇️

DommiMOE: An implementation of ligand field molecular mechanics in the molecular operating environment

Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP).

Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P)†

Exploring Redox States, Doping and Ordering of Electroactive Star-Shaped Oligo(aniline)s.

Heavily Substituted Atropisomeric Diarylamines by Unactivated Smiles Rearrangement of N-Aryl Anthranilamides

Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF.

Inorganic Triphenylphosphine

Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1

Lost in chemical space? Maps to support organometallic catalysis

Mapping the properties of bidentate ligands with calculated descriptors (LKB-bid)

Near-Infrared Luminescence from Platinum(II) Diimine Compounds

On the Basicity of Carboranylphosphines

Organometallic reactivity: the role of metal–ligand bond energies from a computational perspective ⬇️

Photophysical properties of platinum(II)-acetylide complexes: the effect of a strongly electron-accepting diimine ligand on excited-state structure.

Remarkably reactive dihydroindoloindoles via palladium-catalysed dearomatisation

Resistance to the "last resort" antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes

Screening substituent and backbone effects on the properties of bidentate P,P-donor ligands (LKB-PPscreen)

Self-Assembly of a Functional Oligo(Aniline)-Based Amphiphile into Helical Conductive Nanowires

Spectroscopic, structural and computational analysis of [Re(CO)3(dippM)Br](n+) (dippM = 1,1'-bis(diiso-propylphosphino)metallocene, M = Fe, n = 0 or 1; M = Co, n = 1).

Stable Fluorophosphines: Predicted and Realized Ligands for Catalysis

Statistical modeling of a ligand knowledge base

Structural Fluctuations in Enzyme-Catalyzed Reactions: Determinants of Reactivity in Fatty Acid Amide Hydrolase from Multivariate Statistical Analysis of Quantum Mechanics/Molecular Mechanics Paths

Synthesis, structures and properties of a new series of platinum-diimine-dithiolate complexes

The Computational Road to Better Catalysts

The contribution of computational studies to organometallic catalysis: descriptors, mechanisms and models

The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes

Tipping the polaron–bipolaron balance: concentration and spin effects in doped oligo(aniline)s observed by UV-vis-NIR and TD-DFT

Using Metal Vinylidene Complexes to Probe the Partnership Between Theory and Experiment

Visible-Light-Driven Strain-Increase Ring Contraction Allows the Synthesis of Cyclobutyl Boronic Esters