Lista de obras - David McKay - Dominio Público Uruguay

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

artículo científico publicado en 2018

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

artículo científico publicado en 2019

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

artículo científico publicado en 2009

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

artículo científico publicado en 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

artículo científico publicado en 2016

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

artículo científico publicado en 2012

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

artículo científico publicado el 28 de mayo de 2013

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

artículo científico publicado en 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

artículo científico publicado en 2015

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

artículo científico publicado en 2020

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

artículo científico publicado en 2016

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).

artículo científico publicado en 2015

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

artículo científico publicado en 2012

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

artículo científico publicado en 2012

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

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 2011

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

artículo científico publicado en 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

artículo científico publicado en 2018

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

artículo científico publicado en 2017

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

artículo científico publicado en 2010

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

artículo científico publicado en 2017

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

artículo científico publicado en 2011

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

artículo científico publicado en 2012

Supraicosahedral indenyl cobaltacarboranes.

artículo científico publicado en 2010

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

artículo científico publicado en 2010

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

artículo científico publicado en 2014

Unprecedented steric deformation of ortho-carborane

artículo científico publicado en 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.

artículo científico publicado en 2012

[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

artículo científico publicado en 2011

Lista de obras de David McKay

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Hydrolytic stability in hemilabile metal–organic frameworks

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Supraicosahedral indenyl cobaltacarboranes.

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

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

Unprecedented steric deformation of ortho-carborane

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.

[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