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List of works by Natalie Fey

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

scientific article published on 19 September 2017

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

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

scientific article published on 14 August 2009

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

scientific article published on 13 October 2006

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

scientific article published on October 20, 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

scientific article published in March 2009

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

scientific article published on 31 January 2019

Biocatalytic Routes to Lactone Monomers for Polymer Production

scientific article published on 13 March 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

scientific article published in September 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

scientific article published on 23 December 2014

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

scientific article published on 8 October 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

scientific article published on 16 September 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 ⬇️

scientific article

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).

scientific article

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.

scientific article published on 10 October 2016

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

scientific article published on 17 August 2017

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

scientific article published in December 2003

Inorganic Triphenylphosphine

scientific article published on 08 November 2018

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

scientific article published on 06 January 2017

Lost in chemical space? Maps to support organometallic catalysis

scientific article published on 18 June 2015

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

scientific article published on 08 June 2020

Near-Infrared Luminescence from Platinum(II) Diimine Compounds

scientific article published on 01 August 2006

On the Basicity of Carboranylphosphines

scientific article published on 22 October 2019

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

scientific article published on August 19, 2011

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

scientific article

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

scientific article published on 20 May 2020

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

scientific article published on 01 January 2013

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

scientific article

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).

scientific article

Stable Fluorophosphines: Predicted and Realized Ligands for Catalysis

scientific article published on 11 November 2011

Statistical modeling of a ligand knowledge base

scientific article published in November 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

scientific article published on 03 August 2010

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

scientific article published on 9 August 2007

The Computational Road to Better Catalysts

article

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

scientific article

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

scientific article published in November 2004

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

scientific article published in 2019

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

scientific article published on 5 September 2014

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

scientific article published on 31 January 2020

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