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List of works by Brian F Yates

A Computational Mechanistic Investigation of Reduction of Gold(III) Complexes by the Amino Acid Glycine: A New Variant for Amine Oxidation

scientific article published on 14 April 2018

A Mechanistic Investigation of the Gold(III)-Catalyzed Hydrofurylation of C-C Multiple Bonds.

scientific article published on 17 October 2016

A comparison of N2 cleavage in Schrock's Mo[N3N] and Laplaza-Cummins' Mo[N(R)Ar]3 systems

scientific article published on 01 January 2009

A mechanistic study on the oxidation of hydrazides: application to the tuberculosis drug isoniazid.

scientific article

A molecular orbital rationalization of ligand effects in N2 activation

scientific article published on 01 January 2008

A quantitative investigation of the transannular amine-ketone (N...C=O) interaction in medium-sized heterocycles

scientific article published on 01 April 1997

Achieving C-N bond cleavage in dinuclear metal cyanide complexes.

scientific article published on 13 June 2011

Activation and cleavage of the N-N bond in side-on bound [L₂M-NN-ML₂] (L = NH₂, NMe₂, N(i)Pr₂, C₅H₅, C₅Me₄H) dinitrogen complexes of transition metals from groups 4 through 9.

scientific article published in May 2010

Activation and cleavage of the N-O bond in dinuclear mixed-metal nitrosyl systems and comparative analysis of carbon monoxide, dinitrogen, and nitric oxide activation.

scientific article published on 17 December 2008

Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional study

scientific article published in 2008

Basicity of nucleophilic carbenes in aqueous and nonaqueous solvents-theoretical predictions.

scientific article published in July 2004

Breaking Chemistry's Strongest Bond: Can Three-Coordinate [M{N(R)Ar}3] Complexes Cleave Carbon Monoxide?

scientific article published on 01 January 2007

Chemical kinetics of a bipalladium complex.

scientific article

Competing Rearrangements of Ammonium Ylides: A Quantum Theoretical Study

scientific article published on 01 October 1996

Computational study of C(sp3)-O bond formation at a PdIV centre

scientific article published on 6 March 2017

Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd–Pd Bond Cleavage

scientific article published on 17 July 2012

Cu-catalyzed fluorination of diaryliodonium salts with KF.

scientific article

Decarboxylative-Coupling of Allyl Acetate Catalyzed by Group 10 Organometallics, [(phen)M(CH3)]+

article

Density functional theory studies on the oxidation of 5'-dGMP and 5'-dAMP by a platinum(IV) complex.

scientific article published on 18 July 2012

Density functional theory study on the mechanism of the reductive cleavage of CO2 by a bis-beta-diketoiminatediiron dinitrogen complex

scientific article published on 01 September 2010

Different Selectivities in the Insertions into C(sp2 )-H Bonds: Benzofulvenes by Dual Gold Catalysis Competition Experiments

scientific article published on 28 June 2018

Dimethylcuprate undergoes a dyotropic rearrangement.

scientific article published in March 2010

Dinitrogen activation by Fryzuk's [Nb(P(2)N(2))] complex and comparison with the Laplaza-Cummins [Mo{N(R)Ar}(3)] and Schrock [Mo(N(3)N)] systems.

scientific article

Dinitrogen metal complexes with a strongly activated N-N bond: a computational investigation of [(Cy2N)3Nb-(μ-NN)-Nb(NCy2)3] and related [Nb-(μ-NN)-Nb] systems

Dual Gold-Catalyzed Cycloaromatization of Unconjugated (E)-Enediynes

scientific article published on 17 January 2019

Experimental and Theoretical Investigation into the Gold-Catalyzed Reactivity of Cyclopropenylmethyl Acetates ⬇️

scientific article published on November 5, 2010

Formation of ethane from mono-methyl palladium(II) complexes.

scientific article published on 2 June 2014

Investigating CN- cleavage by three-coordinate M[N(R)Ar]3 complexes

scientific article published on 01 January 2008

Ligand design for α 1 adrenoceptor subtype selective antagonists

scientific article published in January 2000

Ligand effects in bimetallic high oxidation state palladium systems

scientific article published on 02 November 2010

Ligand rotation in [Ar(R)N]3M-N2-M'[N(R)Ar]3(M, M' = MoIII, NbIII; R = iPr and tBu) dimers

scientific article published on 04 February 2005

Mechanistic Investigations of Cu-Catalyzed Fluorination of Diaryliodonium Salts: Elaborating the Cu(I)/Cu(III) Manifold in Copper Catalysis

scientific article

Mechanistic investigation of the oxidation of hydrazides: implications for the activation of the TB drug isoniazid

scientific article published on 01 January 2013

Mechanistic studies of ligand fluxionality in [M(eta(5)-Cp)(eta(1)-Cp)(L)2]n

scientific article published on 01 March 2009

NO2 bond cleavage by MoL3 complexes

scientific article published in January 2014

Nitrogen activation via three-coordinate molybdenum complexes: comparison of density functional theory performance with wave function based methods

scientific article published on 01 August 2005

Nucleophilic acyl substitution of acyl diimides.

scientific article

On the selective cleavage of nitrous oxide by metal-amide complexes

scientific article published in March 2014

On the unprecedented level of dinitrogen activation in the calix[4]arene complex of Nb(III)

scientific article published on 23 September 2011

Optimizing small molecule activation and cleavage in three-coordinate M[N(R)Ar]3 complexes

scientific article published on 01 August 2006

Organoactinides promote the dimerization of aldehydes: scope, kinetics, thermodynamics, and calculation studies.

scientific article published on 11 January 2011

Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides

scientific article published on 06 January 2011

Oxidative addition of the imidazolium cation to zerovalent Ni, Pd, and Pt: a combined density functional and experimental study.

scientific article published in August 2001

Phosphine and solvent effects on oxidative addition of CH3Br to Pd(PR3) and Pd(PR3)2 complexes

article

Rationalizing the different products in the reaction of N2 with three-coordinate MoL3 complexes.

scientific article published in May 2007

Reaction of H2 with a Binuclear Zirconium Dinitrogen Complex - Evaluation of Theoretical Models and Hybrid Approaches

scientific article published in September 2006

Reactivity of CO2 towards Mo[N(R)Ph]3

scientific article published on 03 September 2009

Reduction of a Chelating Bis(NHC) Palladium(II) Complex to [{μ-bis(NHC)}2Pd2H]+: A Terminal Hydride in a Binuclear Palladium(I) Species Formed under Catalytically Relevant Conditions

scientific article published on 01 August 2010

Reduction of a platinum(iv) prodrug model by sulfur containing biological reductants: computational mechanistic elucidation

scientific article published on 01 September 2018

Scission of carbon monoxide using TaR3, R=(N(tBu)Ph) or OSi(tBu)3: a DFT investigation.

scientific article published in July 2010

Subtle balance of ligand steric effects in Stille transmetalation.

scientific article published in October 2009

Sulfur dioxide activation: a theoretical investigation into dual S═O bond cleavage by three-coordinate molybdenum(III) complexes.

scientific article published on 5 January 2015

Synthesis of N-heterocyclic carbene palladium(II) bis-phosphine complexes and their decomposition in the presence of aryl halides

scientific article published on 26 June 2007

The influence of N-substitution on the reductive elimination behaviour of hydrocarbyl-palladium-carbene complexes--a DFT study

scientific article published on 06 January 2006

The influence of peripheral ligand bulk on nitrogen activation by three-coordinate molybdenum complexes--a theoretical study using the ONIOM method

scientific article published on 01 October 2009

Theoretical approaches to estimating homolytic bond dissociation energies of organocopper and organosilver compounds

scientific article published on 27 August 2012

Theoretical investigation into the mechanism of 3'-dGMP oxidation by [Pt(IV)Cl4(dach)]

scientific article published on 27 December 2012

Theoretical investigation into the mechanism of Au(I)-catalyzed reaction of alcohols with 1,5 enynes

scientific article published on 02 October 2012

Theoretical investigation into the mechanism of reductive elimination from bimetallic palladium complexes

scientific article published on 14 June 2011

Theoretical study of the mechanism for the sequential N-O and N-N bond cleavage within N2O adducts of N-heterocyclic carbenes by a vanadium(iii) complex.

scientific article published on 9 December 2015

Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes ⬇️

scientific article published on March 15, 2011

Tuning the Laplaza-Cummins 3-coordinate M[N(R)Ph]3 catalyst to activate and cleave CO2.

scientific article published on 14 April 2011

Two Spin-State Reactivity in the Activation and Cleavage of CO2 by [ReO2](.).

scientific article published on 11 May 2016

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