John McGrady
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English chemist and academic
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John McGradychemistry Degrees
Chemistry
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Organic Chemistry
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Chemistry
John McGrady's Degrees
- Masters Chemistry University of Oxford
- Bachelors Chemistry University of Oxford
Why Is John McGrady Influential?
(Suggest an Edit or Addition)According to Wikipedia, John Ewart McGrady is an English chemist and academic who previously played first-class cricket while a student at the University of Oxford. The son of the cricket administrator and minor counties cricketer Albert McGrady, he was born in April 1968 at Ryton, County Durham. He later read chemistry at St Catherine's College, Oxford. While studying at Oxford, McGrady played first-class cricket for Oxford University in 1990, making six appearances. Playing as a wicket-keeper, he scored 15 runs in these matches and made two stumpings.
John McGrady's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- C-F and C-H bond activation of fluorobenzenes and fluoropyridines at transition metal centers: how fluorine tips the scales. (2011) (364)
- Multidimensional crystal engineering of bifunctional metal complexes containing complementary triple hydrogen bonds (2010) (288)
- A comparison of C-F and C-H bond activation by zerovalent ni and pt: a density functional study. (2004) (126)
- Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides. (2006) (113)
- Electrochemical and theoretical investigations of the reduction of [Fe2(CO)5L{μ-SCH2XCH2S}] complexes related to [FeFe] hydrogenase (2007) (84)
- Competing C-F activation pathways in the reaction of Pt(0) with fluoropyridines: phosphine-assistance versus oxidative addition. (2008) (84)
- Selective activation of the ortho C?F bond in pentafluoropyridine by zerovalent nickel: Reaction via a metallophosphorane intermediate stabilized by neighboring group assistance from the pyridyl nitrogen (2010) (72)
- Cationic phosphorus-carbon-pnictogen cages isolobal to [C5R5]+. (2006) (70)
- Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center. (2018) (69)
- Synthesis and characterization of [Ru@Ge12]3-: an endohedral 3-connected cluster. (2014) (64)
- Synthesis and structural characterisation of stable cationic gold(I) alkene complexes. (2009) (64)
- Low-symmetry distortions in Extended Metal Atom Chains (EMACs): Origins and consequences for electron transport (2013) (64)
- A three-state model for the polymorphism in linear tricobalt compounds. (2006) (63)
- Coordination and oxidative addition of octafluoronaphthalene at a nickel centre: isolation of an intermediate in C–F bond activation (2001) (60)
- SrFe0.5Ru0.5O2: square-planar Ru2+ in an extended oxide. (2013) (56)
- Energetics of halogen bonding of group 10 metal fluoride complexes. (2011) (54)
- Experimental and computational study of the structural and electronic properties of Fe(II)(2,2'-bipyridine)(mes)2 and [Fe(II)(2,2'-bipyridine)(mes)2]-, a complex containing a 2,2'-bipyridyl radical anion. (2010) (54)
- A highly distorted open-shell endohedral Zintl cluster: [Mn@Pb12]3-. (2011) (53)
- On the structural landscape in endohedral silicon and germanium clusters, M@Si12 and M@Ge12. (2015) (52)
- Hydrogen activation by an aromatic triphosphabenzene. (2014) (52)
- Synthesis, characterization, and study of octanuclear iron-oxo clusters containing a redox-active Fe4O4-cubane core. (2008) (51)
- Bonding of η1-Acetylide Ligands to Electron-Rich Ruthenium Centers: Can Electron-Withdrawing Ligands Induce Significant Metal-to-Ligand Back-Bonding? (1997) (50)
- Redox-Induced Changes in the Geometry and Electronic Structure of Di-μ-oxo-Bridged Manganese Dimers (1997) (47)
- Isolation and assessment of the molecular and electronic structures of azo-anion-radical complexes of chromium and molybdenum. Experimental and theoretical characterization of complete electron-transfer series. (2011) (45)
- Probing the intrinisic structure and dynamics of aminoborane coordination at late transition metal centers: mono(σ-BH) binding in [CpRu(PR3)2(H2BNCy2)]+. (2011) (45)
- Influence of low-symmetry distortions on electron transport through metal atom chains: when is a molecular wire really "broken"? (2011) (44)
- On the Origin of α- and β-Agostic Distortions in Early-Transition-Metal Alkyl Complexes (2008) (44)
- The interaction of gold(I) cations with 1,3-dienes. (2011) (43)
- Synthesis, structure and reactivity of stable homoleptic gold(i) alkene cations. (2009) (42)
- Electronic structure of bispidine iron(IV) oxo complexes. (2007) (41)
- Critical Role of the Correlation Functional in DFT Descriptions of an Agostic Niobium Complex. (2007) (41)
- A homologous series of first-row transition-metal complexes of 2,2'-bipyridine and their ligand radical derivatives: trends in structure, magnetism, and bonding. (2012) (41)
- Characterisation of the UV, visible and near-IR spectra of the fulleride anions C601–, C602– and C603–, and theoretical analysis of the spectra of C601+, C600, C601–, C602– and C603– by self consistent field-Xα-scattered-wave (SCF-Xα-SW) calculations (1992) (40)
- [Pb9CdCdPb9]6-: a Zintl cluster anion with an unsupported cadmium-cadmium bond. (2009) (40)
- The role of π-blocking hydride ligands in a pressure-induced insulator-to-metal phase transition in SrVO2H (2017) (40)
- Broken-Symmetry and Approximate Spin-Projected Potential Energy Curves for Bimetallic Systems: A Density Functional Study of M2Cl9, M = CrIII, MoIII, WIII, and ReIV (1997) (39)
- On the mechanism of water oxidation by a bimetallic manganese catalyst: a density functional study. (2011) (39)
- Selective preparation of the [3,5-tBu2-1,2,4-C2P3]- ion and synthesis and structure of the cationic species nido-[3,5-tBu2-1,2,4-C2P3]+, isoelectronic with [C5R5]+. (2003) (39)
- Agostic interactions in alkyl derivatives of sterically hindered tris(pyrazolyl)borate complexes of niobium (2009) (38)
- Equilibria between alpha- and beta-agostic stabilized rotamers of secondary alkyl niobium complexes. (2001) (36)
- C–H and C–C agostic interactions in cycloalkyl tris(pyrazolyl)boratoniobium complexes (2003) (35)
- An unprecedented α-C–C agostic interaction in a cyclopropyl tris(pyrazolyl)boratoniobium complex (2003) (35)
- Structural trends in ten-vertex endohedral clusters, M@E(10) and the synthesis of a new member of the family, [Fe@Sn10]3-. (2013) (34)
- Ambient‐Temperature Synthesis of 2‐Phosphathioethynolate, PCS–, and the Ligand Properties of ECX– (E = N, P; X = O, S) (2015) (33)
- Can heterometallic 1-dimensional chains support current rectification? (2013) (33)
- Periodic trends in electron transport through extended metal atom chains: comparison of Ru3(dpa)4(NCS)2 with its first-row analogues (2012) (32)
- Optimized Structures of Bimetallic Systems: A Comparison of Full- and Broken-Symmetry Density Functional Calculations. (1996) (32)
- Efficient spin filtering through cobalt-based extended metal atom chains. (2010) (32)
- Nickel(II) and copper(II) complexes of Schiff base ligands containing N4O2 and N4S2 donors with pyrrole terminal binding groups: Synthesis, characterization, X-ray structures, DFT and electrochemical studies (2010) (32)
- First structural characterization of a delocalized, mixed-valent, triangular Cu37+ species: chemical and electrochemical oxidation of a CuII3(mu3-O) pyrazolate and electronic structure of the oxidation product. (2005) (31)
- Probing the Balance between Localization and Delocalization of the Metal-Based Electrons in Face-Shared Bioctahedral Complexes. (1997) (31)
- Redox-Induced Formation and Cleavage of O-O sigma and pi Bonds in a Peroxo-Bridged Manganese Dimer: A Density Functional Study. (1999) (30)
- A main-group analogue of housene: the subtle influence of the inert-pair effect in group 15 clusters. (2006) (30)
- 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. (2008) (30)
- Communication between Porphyrin Rings in the Butadiyne-Bridged Dimer Ni(OEP)(μ-C4)Ni(OEP): A Density Functional Study (1996) (30)
- Electronic structure and magnetic properties of a trigonal prismatic Cu(II)6 cluster. (2009) (30)
- Switching on oxygen activation by cobalt complexes of pentadentate ligands. (2011) (30)
- Evidence for a SN2-type pathway for phosphine exchange in phosphine-phosphenium cations, [R2P--PR'3]+. (2007) (29)
- On the coordination chemistry of phosphinecarboxamide: assessing ligand basicity. (2014) (29)
- C-H bond activation of benzene by unsaturated η2-cyclopropene and η2-benzyne complexes of niobium. (2010) (28)
- HYDRIDE-BRIDGED HETEROBIMETALLIC COMPLEXES OF ZIRCONIUM AND ALUMINUM (1997) (28)
- High Nuclearity Ruthenium Carbonyl Cluster Chemistry. 5.1 Local Density Functional, Electronic Spectroscopy, Magnetic Susceptibility, and Electron Paramagnetic Resonance Studies on (Carbido)decaruthenium Carbonyl Clusters (1997) (27)
- An aqueous non-heme Fe(IV)oxo complex with a basic group in the second coordination sphere. (2012) (27)
- Dioxygen activation by mixed-valent dirhodium complexes of redox non-innocent azoaromatic ligands. (2010) (26)
- Reactivity Studies of [Co@Sn9]4- with Transition Metal Reagents: Bottom-Up Synthesis of Ternary Functionalized Zintl Clusters. (2018) (26)
- On the strength-hardness relationships in a Zr-Nb alloy plate with bimodal basal texture microstructure (2018) (26)
- Novel intermolecular C–H ⋯π it interactions: an ab initio and density functional theory study (1996) (26)
- Stable formally zerovalent and diamagnetic monovalent niobium and tantalum complexes based on diazadiene ligands. (2002) (25)
- Electronic structure of face- and edge-shared bioctahedral systems : A comparison of M2Cl93- and M2Cl104-, M = Cr, Mo, W (1998) (25)
- Inhibition of [FeFe]-hydrogenases by formaldehyde and wider mechanistic implications for biohydrogen activation. (2012) (25)
- Structure and bonding in the isoelectronic series CnHnP5-n+: is phosphorus a carbon copy? (2004) (24)
- Catalytic alcohol oxidation by an unsymmetrical 5-coordinate copper complex: electronic structure and mechanism. (2006) (24)
- Structure and bonding in a bimetallic endohedral cage, [Co2@Ge16]z− (2015) (23)
- {Rh(PiBu3)2}+ Fragments Ligated to Arenes: From Benzene to Polyaromatic Hydrocarbons, Part I – An Experimental Approach (2011) (23)
- Metal-Metal Bonding in d(1)d(1) and d(2)d(2) Bioctahedral Dimer Systems: A Density Functional Study of Face-Shared M(2)X(9)(3)(-) (M = Ti, Zr, Hf, V, Nb, Ta) Complexes. (1998) (23)
- Structure and Bonding in [Sb@In8 Sb12 ]3- and [Sb@In8 Sb12 ]5. (2019) (23)
- Redox noninnocence in coordinated 2-(arylazo)pyridines: steric control of ligand-based redox processes in cobalt complexes. (2013) (23)
- [(Cp*RuCl)2(μ‐Cl)2]: Bond‐Stretch or Spin‐State Isomerism? (2000) (22)
- A new reaction pathway in organophosphorus chemistry: competing S(N)2 and AE' pathways for nucleophilic attack at a phosphorus-carbon cage compound. (2006) (22)
- Investigation into the effect of water chemistry on corrosion product formation in areas of accelerated flow (2017) (21)
- The role of substrate in unmasking oxyl character in oxomanganese complexes: the key to selectivity? (2008) (21)
- LaSr3 NiRuO4 H4 : A 4d Transition-Metal Oxide-Hydride Containing Metal Hydride Sheets. (2018) (21)
- Coupled Electronic and Magnetic Phase Transition in the Infinite-Layer Phase LaSrNiRuO4. (2016) (21)
- C−C Coupling Constants, JCC, Are Reliable Probes for α-C−C Agostic Structures (2009) (20)
- Synthesis and characterisation of the persistent radical [BCl2(bipy)]*. (2010) (20)
- Sr2FeIrO4: Square-Planar Ir(II) in an Extended Oxide. (2018) (20)
- Insertion of Allenes into the Pd–C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts (2012) (19)
- Synthesis and Computational Studies of Palladium(I) Dimers Pd2X2(PtBu2Ph)2 (X = Br, I): Phenyl versus Halide Bridging Modes (2006) (19)
- Mutual interdependence of spin crossover and metal-metal bond formation in M2Cl9(3-) (M = Fe, Ru, Os). (2001) (18)
- Noncalssical condensed thiophenes. VI. Isothianaphthene 2,2-dioxides (1975) (18)
- A re-evaluation of the two-step spin crossover in the trinuclear cation [Co3(dipyridylamido)4Cl2]+. (2008) (18)
- [Co(η5-P5){η2-P2H(mes)}]2-: a phospha-organometallic complex obtained by the transition-metal-mediated activation of the heptaphosphide trianion. (2012) (18)
- Experimental and theoretical Mössbauer study of an extended family of [Fe8(μ4-O)4(μ-4-R-px)12X4] clusters. (2011) (17)
- 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. (2009) (17)
- Comparison of the reactivity of [2.2]paracyclophane and p-xylene (1995) (17)
- On the nature of the bonding in 1:1 adducts of O2. (2003) (17)
- Observing and modelling energetically close α- and β-carbon–hydrogen agostic interactions in an isopropyl tris(pyrazolyl)boratoniobium complex (1998) (16)
- A comparison of the Still–Gennari and Ando HWE-methodologies with α,β-unsaturated aldehydes; unexpected results with stannyl substituted systems (2003) (16)
- On the structural and electronic properties of [Zn2(4,4'-bipyridine)(mes)4]n- (n=0-2), a homologous series of bimetallic complexes bridged by neutral, anionic, and dianionic 4,4'-bipyridine. (2011) (16)
- A polycyclic borazine radical cation: [1,2-B2{1,2-(MeN)2C6H4}2]˙(+). (2013) (16)
- Study of radiation-induced amorphization of M23C6 in RAFM steels under iron irradiations (2020) (16)
- Electronic Structure of [Pt2(μ-O2CCH3)4(H2O)2]2+ Using the Quasi-Relativistic Xα−SW Method: Analysis of Metal−Metal Bonding, Assignment of Electronic Spectra, and Comparison with Rh2(μ-O2CCH3)4(H2O)2 (1996) (16)
- Investigation of instability of M 23 C 6 particles in F82H steel under electron and ion irradiation conditions (2018) (16)
- β-H Abstraction/1,3-CH Bond Addition as a Mechanism for the Activation of CH Bonds at Early Transition Metal Centers (2014) (15)
- Metal-benzene and metal-CO bond energies in neutral and ionic C6H6Cr(CO)3 studied by threshold photoelectron-photoion coincidence spectroscopy and density functional theory. (2002) (15)
- Valence-Dependent Metal-Metal Bonding and Optical Spectra in Confacial Bioctahedral [Re(2)Cl(9)](z)()(-) (z = 1, 2, 3). Crystallographic and Computational Characterization of [Re(2)Cl(9)](-) and [Re(2)Cl(9)](2)(-). (1996) (15)
- Development of a microfluidic setup to study the corrosion product deposition in accelerated flow regions (2017) (15)
- Decomposition of [2-Pyr(SiMe3)2C]2SbCl into the stibaalkene [2-Pyr(SiMe3)2C-Sb=C(SiMe3)2-Pyr]: solid, solution, and ab initio Study (2004) (15)
- Structure and bonding in trimetallic arrays containing a Cr–Cr quadruple bond: A challenge to density functional theory (2015) (14)
- Contrasting photochemical and thermal reactivity of Ru(CO)2(PPh3)(dppe) towards hydrogen rationalised by parahydrogen NMR and DFT studies. (2006) (14)
- Tuning affinity and reversibility for O2 binding in dinuclear Co(II) complexes. (2013) (14)
- Intramolecular N⋯E interactions in N-functionalised alkyl complexes R′ECl2 (E=P, As, Sb; R=6-Me-2-Pyr(SiMe3)2C−) (2000) (14)
- Interaction between slip and {101¯2} tensile twinning in Zr alloy: Quasi in situ electron backscatter diffraction study under uniaxial tensile test (2019) (13)
- Extreme Sensitivity of a Topochemical Reaction to Cation Substitution: SrVO2H versus SrV1- xTi xO1.5H1.5. (2018) (13)
- A family of lead clusters with precious metal cores (2020) (13)
- Transition-metal-mediated activation of the heptaarsenide trianion: isolation of a diaryltetraarsenabutadienediide. (2012) (13)
- Synthesis, Structure, and Properties of the Layered Oxide Chalcogenides Sr2CuO2Cu2S2 and Sr2CuO2Cu2Se2. (2018) (13)
- Aromatic versus Benzylic CH Bond Activation of Alkylaromatics by a Transient η2-Cyclopropene Complex (2011) (13)
- Competing radical and non-radical pathways for the decomposition of LFeII(H2O2) complexes: a density functional study (2007) (13)
- Attenuation of conductance in cobalt extended metal atom chains (2012) (12)
- A trigonal prismatic Cu6-pyrazolato complex containing a μ6-F ligand. (2015) (12)
- [Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene. (2020) (12)
- ACTIVATION OF H2 BY HALOGENOCARBONYLBIS(PHOSPHINE)RHODIUM(I) COMPLEXES. THE USE OF PARAHYDROGEN INDUCED POLARISATION TO DETECT SPECIES PRESENT AT LOW CONCENTRATION (1999) (12)
- Instability of MX and M23C6 type precipitates in F82H steels under 2.8 MeV Fe2+ irradiation at 673 K (2018) (12)
- Periodic trends in metal–metal bonding in cubane clusters, (C5H5)4M4E4 [M = Cr, Mo, E = O, S] (1999) (11)
- A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (μ3-O)-Pyrazolato-FeIII3 Complex (2012) (11)
- An electronic perspective on the reduction of an n=n double bond at a conserved dimolybdenum core. (2004) (11)
- On the oxidation of alkyl and aryl sulfides by [(Me3TACN)MnVO(OH)2]+: A density functional study (2008) (11)
- Investigation of anisotropic hardening response in a 12Cr-ODS ferritic steel subjected to 2.8 MeV Fe2+ irradiation (2020) (11)
- Metal−Metal Bonding in M2Cl6(H2PCH2PH2)2, M2Cl6(PH3)4, and M2Cl104- (M = Cr, Mo, W) Edge-Shared Dimer Systems (1999) (11)
- Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene (2019) (11)
- Probing the Structure, Dynamics, and Bonding of Coinage Metal Complexes of White Phosphorus. (2016) (10)
- Transformations and Agostic Interactions of Hydrocarbyl Ligands Bonded to the Sulfur-Rich Dimolybdenum Site {Mo2Cp2(μ-SMe)3}: Chemical and Electrochemical Formation of μ-Alkyl and μ-Vinyl Compounds from a μ-Alkylidene Derivative (2005) (10)
- A Unified Approach to Electron Counting in Main-Group Clusters (2004) (10)
- Biradical character in the ground state of [Mn@Si12](+): a DFT and CASPT2 study. (2016) (10)
- The structural landscape in 14-vertex clusters of silicon, M@Si14: when two bonding paradigms collide. (2017) (10)
- Surface orientation dependence of irradiation-induced hardening in a polycrystalline zirconium alloy (2019) (10)
- Generation of Supraclusters and Nanoclusters Using Laser Desorption/Ionisation Mass Spectrometry (2000) (9)
- B(C6 F5 )3 -Enabled Synthesis of a Cyclic cis-Arsaphosphene. (2019) (9)
- Effects of pre-deformation on microstructural evolution of 12Cr ODS steel under 1473–1673 K annealing (2018) (9)
- Molecular and Electronic Structure of the Confacial Diosmium(III) Nonabromide Complex Anion. X-ray Crystallography of Rb3Os2Br9 and Direct Comparisons of [Os2Br9]3- with [Ru2Br9]3- (1994) (9)
- The role of transition metal ions in hydrogen bonded networks: a density functional molecular orbital theory study (1996) (9)
- Linkage Isomerism in Complexes of o-Xylylene: Density Functional Study of the Structure and Bonding in endo- and exo-Ru(PH3)3(o-xylylene) (1996) (9)
- Simulation of ethylene insertion in an aluminium catalyst (1999) (8)
- A Proton‐Triggered Cascade Reaction Involving a Heavy p‐Block Multiple Bond: Transformation of the Diphosphene C5Me5P=PC5Me5 into the Cationic Cage [C10Me10P2H]+ (2008) (8)
- On the Electronic Origins of Structural Isomerism in the Iron−Sulfur Cubane, [(C5H5)4Fe4S4]2+ (2003) (8)
- How Formaldehyde Inhibits Hydrogen Evolution by [FeFe]-Hydrogenases: Determination by ¹³C ENDOR of Direct Fe-C Coordination and Order of Electron and Proton Transfers. (2015) (8)
- Structure and Bonding in [Sb@In 8 Sb 12 ] 3− and [Sb@In 8 Sb 12 ] 5− (2019) (8)
- Double exchange in a mixed-valent octanuclear iron cluster, [Fe8(μ4-O)4(μ-4-Cl-pz)12Cl4](-). (2014) (8)
- A Redox-Induced Spin-State Cascade in a Mixed-Valent Fe3 (μ3 -O) Triangle. (2017) (7)
- Characterisation of tri-ruthenium dihydride complexes through the computation of NMR parameters. (2012) (7)
- Radiation-Induced Amorphization of M23C6 in F82H steel: An atomic-scale Observation (2021) (7)
- Promotion of phosphaalkyne cyclooligomerisation by a Sb(v) to Sb(iii) redox process. (2008) (7)
- Solution-Based Group 14 Zintl Anions: New Frontiers and Discoveries. (2021) (7)
- A density functional study of oxygen activation by unsaturated complexes [M(bipy)(2)](2+), M = Cr and Fe. (2002) (7)
- Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series TpMe2NbCl(c-CnH2n− 1)(MeCCMe), n = 3–6 (2006) (6)
- The reactivity of [2.2.2]paracyclophane towards Cr(CO) 6 : experimental and theoretical considerations (1997) (6)
- Quantifying the effect of high-spin/low-spin crossover on electron delocalization in d5d5 M2Cl93- (M = Fe, Ru, Os) dimers (2002) (6)
- A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains. (2017) (6)
- Accessing iron amides from dimesityliron (2015) (6)
- Competing bromination and oxidation pathways in acid bromate solutions: an experimental and theoretical studyElectronic supplementary information (ESI) available: details of continuous flow EPR experiments; compound characterisation data (1H NMR, MS) for the bromination of benzaldehyde. See http://w (2002) (6)
- On the structure and stability of electron deficient species derived from [Cr(CO)3(arene)] (2000) (6)
- Catalytic hydrogenolysis of alkyl halides by sulfido-bridged molybdenum clusters: A density functional study (2005) (5)
- Density-functional study of the ground- and excited-spin states of [M2Cl9]3–(M = Mo or W) face-shared dimers: consequences for structural variation in A3M2Cl9 complexes (1996) (5)
- Structural isomerism in the [(Ni@Sn9)In(Ni@Sn9)]5- Zintl ion. (2019) (5)
- C4-ring ligand-transfer reactions: applications to cluster chemistry. Crystal structures of [Ru5C(CO)13(η-C4Ph4)] and [Ru6C(CO)15(η-C4Ph4)] (1995) (5)
- Thermal Generation and Structures of the Unsaturated Doubly Bridged Complex [Mo2Cp2Cl2(μ-SMe)2] and Its Quadruply Bridged Isomer [Mo2Cp2(μ-Cl)2(μ-SMe)2] (2011) (5)
- Pressure-Induced Transitions in the 1-Dimensional Vanadium Oxyhydrides Sr2VO3H and Sr3V2O5H2, and Comparison to 2-Dimensional SrVO2H. (2019) (5)
- Introduction and General Survey of Metal–Metal Bonds (2015) (5)
- In-situ HVEM observation under 2 MeV electron irradiations on Y–Ti–O nanoparticles in 12Cr-ODS steel at 723K (2019) (5)
- Structure and bonding in endohedral transition metal clusters (2019) (5)
- H2 generation at metal oxide particle surfaces under γ-radiation in water (2020) (5)
- γ-radiation effects on metal oxide particles and their wetted surfaces (2020) (4)
- Charge transfer across the Cr2O3, Fe2O3, and ZrO2 oxide/water interface: A pulse radiolysis study (2020) (4)
- Rationalizing and Disrupting Fluxional Processes in Agostically Stabilized 14-Electron Alkyliridium Hydride Complexes (2014) (4)
- On the role of the indenyl effect in controlling intramolecular hydride transfer in iron carbonyl complexes (2008) (4)
- Interpretation of the electronic spectra of the confacial bioctahedral nonahalides [Ru2Cl9]3– and [Ru2Br9]3– using the SCF-Xα-SW method: location of the σ→σ* transition (1994) (4)
- Site preferences in hetero-metallic [Fe9-xNix] clusters: a combined crystallographic, spectroscopic and theoretical analysis. (2017) (3)
- Moments of inertia in cluster and coordination compounds (1992) (3)
- A Comparison of the Still—Gennari and Ando HWE‐Methodologies with α,β‐Unsaturated Aldehydes: Unexpected Results with Stannyl‐Substituted Systems. (2004) (3)
- Linkage Isomerism Leading to Contrasting Carboboration Chemistry: Access to Three Constitutional Isomers of a Borylated Phosphaalkene (2020) (3)
- In search of structure–function relationships in transition-metal based rectifiers (2014) (3)
- Open Shells in Endohedral Clusters: Structure and Bonding in the [Fe2@Ge16]4- Anion and Comparison to Isostructural [Co2@Ge16]4. (2021) (3)
- {Rh(PiBu3)2}+ Fragments Ligated to Arenes: From Benzene to Polyaromatic Hydrocarbons, Part II – Computational Analysis of Pathways for Haptotropic Migration† (2011) (3)
- Electronic structure and bonding in endohedral Zintl clusters. (2021) (3)
- Evolution of Vibrational Spectra in the Manganese–Silicon Clusters Mn2Sin, n = 10, 12, and 13, and Cationic [Mn2Si13]+ (2022) (2)
- Electronic Structure of Metal—Metal Bonds (2009) (2)
- Investigation of radiation-induced surface activation effect in austenitic stainless steel under ultraviolet and γ-ray irradiations (2019) (2)
- Exchange coupling through diamagnetic [Fe(CO)4]2- bridging ligands in a xenophilic cluster. (2011) (2)
- 6-(Alkyldimethylammonio)-hexanoates (1984) (2)
- Radiation-induced nanoparticle growth in 12Cr-ODS steel at elevated temperature (2020) (2)
- Redox-Dependent Metal-Metal Bonding in Trinuclear Metal Chains: Probing the Transition from Covalent Bonding to Exchange Coupling. (2018) (2)
- The Synthesis of the Arene Clusters Ru6C(CO)14(η6-Arene) (Arene = C6H5CHMe2, C6H5C4H9, C6H5C3H7, and C6H5C3H5) (1997) (2)
- Hydrofunctionalisation of an Aromatic Triphosphabenzene. (2019) (2)
- A family of lead clusters with precious metal cores (2020) (1)
- The interplay between steric repulsions and metal–metal bonding in [Ru2(μ-Cl)3(PR3)6]z+, R = H, Me, Et, z = 1, 2, 3: a hybrid QM/MM study (2003) (1)
- A Zintl Cluster for Transition Metal-Free Catalysis: C=O Bond Reductions (2022) (1)
- Electronic Properties of Endohedral Clusters of Group 14 (2016) (1)
- The effect of water chemistry on corrosion product build-up under PWR primary coolant conditions (2017) (1)
- Application of chemical interaction between (Fe, Cr) oxides and Mo oxide at high temperature for self-healing intelligence on nuclear fuel cladding in LWRs (2018) (1)
- Coupled Electronic and Magnetic Phase Transition in the Infinite‐Layer Phase LaSrNiRuO4. (2016) (1)
- Synthesis, Structure and Bonding in Pentagonal Bipyramidal Cluster Compounds Containing a cyclo-Sn5 Ring, [(CO)3MSn5M(CO)3]4‒ (M = Cr, Mo) (2022) (1)
- Wettability Recovery Behavior Governed by Desorption of Hydroxyl Species in Steel. (2019) (1)
- The synergy between theory and experiment. (2009) (1)
- Zintl chemistry: From Zintl ions to Zintl clusters (2021) (1)
- Electronic structure of open-shell transition metal complexes (2011) (0)
- Synthesis and Characterization of Ternary Clusters Containing the [As16]10- Anion, [MM'As16]4- (M = Nb or Ta; M' = Cu or Ag). (2022) (0)
- Investigation on the feasibility of the interaction between NiO and Mo oxide for self-healing intelligence on the nuclear fuel cladding (2019) (0)
- Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series Tp(Me2)NbCl(c-C(n)H(2n-1))(MeC[triple bond]CMe), n = 3-6. (2006) (0)
- Innentitelbild: Structure and Bonding in [Sb@In8Sb12]3− and [Sb@In8Sb12]5− (Angew. Chem. 25/2019) (2019) (0)
- Sustaining Unconventional Warfare (2013) (0)
- Metal-Metal Bonding in M(2)Cl(6)(H(2)PCH(2)PH(2))(2), M(2)Cl(6)(PH(3))(4), and M(2)Cl(10)(4-) (M = Cr, Mo, W) Edge-Shared Dimer Systems. (1999) (0)
- CCDC 821031: Experimental Crystal Structure Determination (2012) (0)
- Electronic Structure of Cubane-Like Vanadium – Nitrogen Cationic Clusters [ V 4 N 4 ] + and [ V 6 N 6 ] + (2019) (0)
- Complementary hydrogen bonding in diamides: a study on the influence of remote substituents using density functional theory (1995) (0)
- Radiolysis of Water in the Presence of Metal Oxide Particles (2018) (0)
- Synthetic and theoretical studies on group 15 alkyldihalides stabilised with SiMe3 (1998) (0)
- Mn2 Dimers Encapsulated in Silicon Cages: A Complex Challenge to MC-SCF Theory (2022) (0)
- Metal—Metal Bonding in d1d1 and d2d2 Bioctahedral Dimer Systems: A Density Functional Study of Face-Shared M2X93- (M: Ti, Zr, Hf, V, Nb, Ta) Complexes. (1999) (0)
- An unprecedented alpha-C-C agostic interaction in a cyclopropyl tris(pyrazolyl)boratoniobium complex. (2003) (0)
- Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands. (2018) (0)
- CCDC 821029: Experimental Crystal Structure Determination (2012) (0)
- Electronic Structure of [Pt(2)(&mgr;-O(2)CCH(3))(4)(H(2)O)(2)](2+) Using the Quasi-Relativistic Xalpha-SW Method: Analysis of Metal-Metal Bonding, Assignment of Electronic Spectra, and Comparison with Rh(2)(&mgr;-O(2)CCH(3))(4)(H(2)O)(2). (1996) (0)
- High- versus Low-Spin Ni2+ in Elongated Octahedral Environments: Sr2NiO2Cu2Se2, Sr2NiO2Cu2S2, and Sr2NiO2Cu2(Se1–xSx)2 (2022) (0)
- Structure and Bonding in [Sb@In 8 Sb 12 ] 3− and [Sb@In 8 Sb 12 ] 5− (2019) (0)
- Mutual Interdependence of Spin Crossover and Metal—Metal Bond Formation in M2Cl93‐ (M: Fe, Ru, Os). (2001) (0)
- Missing Link in the Growth of Lead-Based Zintl Clusters: Isolation of the Dimeric Plumbaspherene [Cu4Pb22]4– (2022) (0)
- Effect of iron beam on radiation-induced amorphization (2020) (0)
- Quantum chemical models for the absorption of endohedral clusters on Si(111)-(7 × 7): a subtle balance between W-Si and Si-Si bonding. (2019) (0)
- Buckminsterfullerene and Its Electrogenerated Anions C 60 1- . C 60 2- and C 60 3- (1993) (0)
- Electron transport through molecular wires based on a face-shared bioctahedral motif☆ (2012) (0)
- Characterisation of Particulate Material in PWR Primary Coolant (2014) (0)
- Sequential Pressure-Induced B1–B2 Transitions in the Anion-Ordered Oxyhydride Ba2YHO3 (2022) (0)
- Optimized Geometrics of Bimetallic Systems using Density Functional Theory: a Comparison of the Molecular Orbital and Broken-Symmetry Approaches (1996) (0)
- [Pb9CdCdPb9]6‐: A Zintl Cluster Anion with an Unsupported Cadmium—Cadmium Bond. (2010) (0)
- On the electronic origins of structural isomerism in the iron-sulfur cubane, [(C(5)H(5))(4)Fe(4)S(4)](2+). (2003) (0)
- CCDC 982580: Experimental Crystal Structure Determination (2014) (0)
- Structural, spectroscopic and electronic properties of a family of face-shared bi-octahedral Ru25+/6+ complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand. (2020) (0)
- (2018). Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2-Bipyridyl-Ligated Gold Center. (12), (2018) (0)
- Electronic Structure of Cubane-Like Vanadium–Nitrogen Cationic Clusters [V4N4]+ and [V6N6]+ (2019) (0)
- Synthesis and Characterization of [Fe3(As3)3As4]3-, a Binary Fe/As Zintl Cluster With an Fe3 Core. (2023) (0)
- Molecular and Electronic Structure of the Confacial Diosmium(III) Nonabromide Complex Anion. X-Ray Crystallography of Rb3Os2Br9 and Direct Comparisons of (Os2Br9)3- with (Ru2Br9)3-. (2010) (0)
- Tuning a ffi nity and reversibility for O 2 binding in dinuclear Co ( II ) complexes † (2013) (0)
- A Density Functional Study on the Excited States of [M2Cl9]3- (M = Mo, W). Consequences for Structural Variation in A3M2Cl9 Systems. (1996) (0)
- A linear metal-metal bonded tri-iron single-molecule magnet. (2021) (0)
- The role of π-blocking hydride ligands in a pressure-induced insulator-to-metal phase transition in SrVO2H (2017) (0)
- High- versus Low-Spin Ni<sup>2+</sup> in Elongated Octahedral Environments: Sr<sub>2</sub>NiO<sub>2</sub>Cu<sub>2</sub>Se<sub>2</sub>, Sr<sub>2</sub>NiO<sub>2</sub>Cu<sub>2</sub>S<sub>2</sub>, and Sr<sub>2</sub>NiO<sub>2</sub>Cu<sub>2</sub>(Se<sub>1–<i>x</i></sub>S<sub><i>x</i></sub>)<sub>2</sub> (2022) (0)
- Radiolysis of water at the surface of ZrO2 nanoparticles (2023) (0)
- Inside Cover: Structure and Bonding in [Sb@In 8 Sb 12 ] 3− and [Sb@In 8 Sb 12 ] 5− (Angew. Chem. Int. Ed. 25/2019) (2019) (0)
- Crystal and magnetic structures of the Ir(V) JeffIr = 0 double perovskite LaSrNiIrO6 (2022) (0)
- Characterisation and Behaviour of Particulate Material in PWR Primary Coolant (2016) (0)
- Synthesis and characterisation of the ternary intermetalloid clusters {M@[As8(ZnMes)4]}3− (M = Nb, Ta) from binary [M@As8]3− precursors (2022) (0)
- From Computational NMR Spectroscopy to Homogeneous Catalysis: Beyond Static Molecules (2008) (0)
- Electronic Structure of Face- and Edge-Shared Bioctahedral Systems: A Comparison of M(2)Cl(9)(3-) and M(2)Cl(10)(4-), M = Cr, Mo, W. (1998) (0)
- Electronic structure and optical spectra of transition metal complexes (1994) (0)
- NONCLASSICAL CONDENSED THIOPHENES PART 6, ISOTHIANAPHTHENE 2,2-DIOXIDES (1975) (0)
- Title The role of π-blocking hydride ligands in a pressure-inducedinsulator-to-metal phase transition in SrVO 2 (2019) (0)
- Structural, spectroscopic and electronic properties of a family of bi-octahedral mixed-valence Ru 25+ complexes with a bridging 2,5-di(2-pyridyl)pyrrolide ligand (2020) (0)
- CCDC 1013921: Experimental Crystal Structure Determination (2015) (0)
- In search of structure-activity relationships in transition metal-based molecular conductors (2018) (0)
- Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to a ff ord a triplet phosphinidene † ChemicalScience EDGE ARTICLE (2019) (0)
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