John Mcgrady
0000-0002-8991-1921
Oxford University
166 papers found
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Agostic interactions in alkyl derivatives of sterically hindered tris(pyrazolyl)borate complexes of niobium
C−C Coupling Constants,JCC, Are Reliable Probes for α-C−C Agostic Structures
Electronic structure and magnetic properties of a trigonal prismatic CuII6 cluster
1,1- and 1,2-isomers of the diborane(4) compound B(2){1,2-(NH)(2)C(6)H(4)}(2) and a TCNQ Co-crystal of the 1,1-isomer.
Synthesis and structural characterisation of stable cationic gold(i) alkene complexes
The synergy between theory and experiment
[Pb9CdCdPb9]6−: A Zintl cluster anion with an unsupported cadmium–cadmium bond
On the role of the indenyl effect in controlling intramolecular hydride transfer in iron carbonyl complexes
Competing C-F Activation Pathways in the Reaction of Pt(0) with Fluoropyridines: Phosphine-Assistance versus Oxidative Addition
On the oxidation of alkyl and aryl sulfides by [(Me3TACN)MnVO(OH)2]+: A density functional study
The role of substrate in unmasking oxyl character in oxomanganese complexes: the key to selectivity?
Promotion of phosphaalkyne cyclooligomerisation by a Sb(v) to Sb(iii) redox process.
1,2-Diphosphinobenzene as a synthon for the 1,2,3-triphospha- and 2-arsa-1,3-diphosphaindenyl anions and a stable organo derivative of the P8 unit of Hittorf's phosphorus.
A re-evaluation of the two-step spin crossover in the trinuclear cation [Co3(dipyridylamido)4Cl2]+.
Synthesis, Characterization and Study of Octanuclear Iron-Oxo Clusters Containing a Redox-Active Fe4O4-Cubane Core
Evidence for a SN2-Type Pathway for Phosphine Exchange in Phosphine–Phosphenium Cations, [R2PPR′3]+
Electronic structure of bispidine iron(IV) oxo complexes.
Critical role of the correlation functional in DFT descriptions of an agostic niobium complex
Electrochemical and theoretical investigations of the reduction of [Fe2(CO)5L{µ-SCH2XCH2S}] complexes related to [FeFe] hydrogenase
Competing radical and non-radical pathways for the decomposition of LFeII(H2O2) complexes: a density functional study
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