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List of works by David McKay

17O solid-state NMR spectroscopy of A2B2O7 oxides: quantitative isotopic enrichment and spectral acquisition?

scientific article published on 14 February 2018

A Picture of Disorder in Hydrous Wadsleyite—Under the Combined Microscope of Solid-State NMR Spectroscopy and Ab Initio Random Structure Searching

scientific article published on 06 February 2019

Adducts of the supraicosahedral stannacarborane 1,6-Me2-4,1,6-closo-SnC2B10H10; synthetic, structural and computational studies.

scientific article published on 18 February 2009

Application of NMR Crystallography to Highly Disordered Templated Materials: Extensive Local Structural Disorder in the Gallophosphate GaPO-34A

scientific article published on 04 August 2020

Applications of crystal structure prediction - organic molecular structures: general discussion

Combining solid-state NMR spectroscopy with first-principles calculations - a guide to NMR crystallography

scientific article published on 27 April 2016

Computational insight into the reductive oligomerisation of CO at uranium(III) mixed-sandwich complexes

scientific article published on 21 March 2012

Computational study of the hydrodefluorination of fluoroarenes at [Ru(NHC)(PR3)2(CO)(H)2]: predicted scope and regioselectivities ⬇️

scientific article published on May 28, 2013

Cost-effective 17O enrichment and NMR spectroscopy of mixed-metal terephthalate metal-organic frameworks

scientific article published on 23 November 2017

Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

article

Ensemble-Based Modeling of the NMR Spectra of Solid Solutions: Cation Disorder in Y2(Sn,Ti)2O7

scientific article published on 22 October 2019

Exceedingly Facile Ph-X Activation (X = Cl, Br, I) with Ruthenium(II): Arresting Kinetics, Autocatalysis, and Mechanisms

scientific article

Following the unusual breathing behaviour of 17O-enriched mixed-metal (Al,Ga)-MIL-53 using NMR crystallography

scientific article published on 24 June 2020

Hunting for hydrogen: random structure searching and prediction of NMR parameters of hydrous wadsleyite

scientific article

Hydrolytic stability in hemilabile metal–organic frameworks

scientific article published on 13 August 2018

Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane).

scientific article published in March 2015

Interception of a Rh(I)–Rh(III) dinuclear trihydride complex revealing the dihydrogen activation by [Rh(CO)2{(R,R)-Ph–BPE}]

scientific article published on 16 February 2012

Interplay between Cationic and Neutral Species in the Rhodium-Catalyzed Hydroaminomethylation Reaction

scientific article published on 18 April 2012

Investigating Unusual Homonuclear Intermolecular "Through-Space" J Couplings in Organochalcogen Systems

scientific article published on 17 July 2016

Isomerisation of nido-[C2B10H12]2- dianions: unprecedented rearrangements and new structural motifs in carborane cluster chemistry.

scientific article published on 24 March 2015

New chemistry of 1,2-closo-P2B10H10 and 1,2-closo-As2B10H10; in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes

scientific article published on 10 June 2011

Phase Composition and Disorder in La2(Sn,Ti)2O7 Ceramics: New Insights from NMR Crystallography.

scientific article published on 24 August 2016

Phosphorus-Bismuth Peri-Substituted Acenaphthenes: A Synthetic, Structural, and Computational Study

scientific article published on 09 April 2020

Polymorphism, Weak Interactions and Phase Transitions in Chalcogen-Phosphorus Heterocycles

scientific article published on 28 June 2018

Room Temperature Regioselective Catalytic Hydrodefluorination of Fluoroarenes with trans-[Ru(NHC)4 H2 ] through a Concerted Nucleophilic Ru-H Attack Pathway

scientific article published on 9 January 2017

Room-temperature C-C bond cleavage of an arene by a metallacarborane

scientific article published on 01 July 2010

Solid-State NMR Spectroscopy Proves the Presence of Penta-coordinated Sc Sites in MIL-100(Sc).

scientific article published on 5 April 2017

Spectroscopic, structural, computational and (spectro)electrochemical studies of icosahedral carboranes bearing fluorinated aryl groups

scientific article published on 10 March 2011

Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation

scientific article published on 15 July 2012

Supraicosahedral indenyl cobaltacarboranes.

scientific article published on 4 May 2010

Synthetic, structural and computational studies on adducts of the 4,1,2-SnC2B10 supraicosahedral stannacarborane.

scientific article published on 27 January 2010

Theoretical treatment of one electron redox transformation of a small molecule using f-element complexes

scientific article published in August 2014

Unprecedented steric deformation of ortho-carborane

scientific article published on 19 September 2008

Untethered 4,1,2-MC2B10 supraicosahedral metallacarboranes, their C,C'-dimethyl 4,1,6-, 4,1,8- and 4,1,12-MC2B10 analogues, and DFT study of the (4,)1,2- to (4,)1,6-isomerisations of C2B11 carboranes and MC2B10 metallacarboranes.

scientific article

[Ir(PCy3)2(H)2(H2B-NMe2)]+ as a latent source of aminoborane: probing the role of metal in the dehydrocoupling of H3B⋅NMe2H and retrodimerisation of [H2BNMe2]2

scientific article published on 14 February 2011

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