| scholarly article | Q13442814 |
| P50 | author | Carles Bo | Q42660927 |
| Josep Maria Poblet | Q42660935 | ||
| Xavier López | Q43202172 | ||
| Jorge J. Carbó | Q51053995 | ||
| P2860 | cites work | A quantum chemical study of the decomposition of Keggin-structured heteropolyacids | Q30439680 |
| Synthetic ion channels via self-assembly: a route for embedding porous polyoxometalate nanocapsules in lipid bilayer membranes | Q30494889 | ||
| Synthesis, structural characterization, and molecular modeling of dodecaniobate keggin chain materials. | Q30984709 | ||
| Rates of oxygen exchange between the [H(x)Nb(6)O(19)](8)(-)(x)(a)(q)) Lindqvist ion and aqueous solutions | Q31074724 | ||
| Characterization of manganese(V)-oxo polyoxometalate intermediates and their properties in oxygen-transfer reactions | Q31080889 | ||
| Tuning the thermodynamic stability of oxothiomolybdenum wheels: crystal structures, studies in solution and DFT calculations | Q33386107 | ||
| Unprecedented and differently applicable pentagonal units in a dynamic library: a keplerate of the type {(W)W5}12{Mo2}30. | Q33387356 | ||
| Dynamic properties of a hexadecamolybdenum wheel: studies in solution and density functional theory calculations | Q33469808 | ||
| Vicinal dinitridoruthenium-substituted polyoxometalates gamma-[XW10O38{RuN}2]6- (X = Si or Ge). | Q33501257 | ||
| Zeolitic polyoxometalate-based metal-organic frameworks (Z-POMOFs): computational evaluation of hypothetical polymorphs and the successful targeted synthesis of the redox-active Z-POMOF1. | Q33511493 | ||
| Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach | Q33622503 | ||
| Ternary Porphyrinato Hf(IV) and Zr(IV) - Polyoxometalate Complexes | Q33904113 | ||
| Reactive Zr(IV) and Hf(IV) butterfly peroxides on polyoxometalate surfaces: bridging the gap between homogeneous and heterogeneous catalysis. | Q33927827 | ||
| Lanthanide polyoxocationic complexes: experimental and theoretical stability studies and Lewis acid catalysis | Q34072835 | ||
| Revisiting the polyoxometalate-based late-transition-metal-oxo complexes: the "oxo wall" stands. | Q34281176 | ||
| Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates | Q35546918 | ||
| A journey inside the U28 nanocapsule. | Q38567163 | ||
| Theoretical study of the relative stabilities of the alpha/beta3-[XW11O39](m-) lacunary polyoxometalates (X = P, Si). | Q40065259 | ||
| Keggin polyoxoanions in aqueous solution: ion pairing and its effect on dynamic properties by molecular dynamics simulations | Q42660835 | ||
| Assembly of titanium embedded polyoxometalates with unprecedented structural features | Q42835999 | ||
| Polyoxopalladates encapsulating yttrium and lanthanide ions, [X(III)Pd(II)12(AsPh)8O32]5- (X=Y, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu). | Q43000073 | ||
| Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-substituted hexamolybdates: structural modelling towards a rational entry to NLO materials | Q43147854 | ||
| Epoxidation of alkenes with hydrogen peroxide catalyzed by selenium-containing dinuclear peroxotungstate and kinetic, spectroscopic, and theoretical investigation of the mechanism | Q43178571 | ||
| A late-transition metal oxo complex: K7Na9[O=PtIV(H2O)L2], L = [PW9O34]9- | Q56765152 | ||
| New insights into Keggin-type 12-tungstophosphoric acid from 31P MAS NMR analysis of absorbed trimethylphosphine oxide and DFT calculations | Q57097224 | ||
| Exploring the rotational isomerism in non-classical Wells–Dawson anions {W18X}: a combined theoretical and mass spectrometry study | Q57383128 | ||
| Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters | Q57383173 | ||
| Exploring the Structure and Properties of Transition Metal Templated {VM17(VO4)2} Dawson-Like Capsules | Q57383190 | ||
| Exploring the thermochromism of sulfite-embedded polyoxometalate capsules | Q57383192 | ||
| Polyoxometalates: Building Blocks for Functional Nanoscale Systems | Q57383259 | ||
| Nucleation Mechanisms of Molecular Oxides: A Study of the Assembly-Dissassembly of [W6O19]2−by Theory and Mass Spectrometry | Q57383290 | ||
| Experimental and Theoretical Investigations of the Sulfite-Based Polyoxometalate Cluster Redox Series: α- and β-[Mo18O54(SO3)2]4−/5−/6− | Q57383424 | ||
| Observation and Theoretical Analysis of the “Sensitive Coordination Sites” in the Isopolyoxomolybdate Cluster $$[\hbox{Mo}_{36}\hbox{O}_{112}(\hbox{H}_{2}\hbox{O})_{14}]^{8-}$$ | Q57383447 | ||
| Self-assembly of polyoxometalate conjugates: novel models for catalytic surfaces from crystal data | Q57967296 | ||
| Experimental and Computational Study of the Framework Fluxionality of Organometallic Derivatives of Polyoxometalates: Analysis of the Effect of the Metal and of the Solvent | Q57968088 | ||
| Water Dissociation on α1-Hafnium and Ytterbium Substituted Dawson Polyoxotungstates: A Density Functional Theory Study† | Q58095119 | ||
| Catalysts for Monooxygenations Made from Polyoxometalate: An Iron(V)−Oxo Derivative of the Lindqvist Anion | Q58095130 | ||
| Polyoxomolybdodiphosphonates: Examples Incorporating Ethylidenepyridines | Q58278537 | ||
| A Noble-Metalate Bowl: The Polyoxo-6-vanado(V)-7-palladate(II) [Pd7V6O24(OH)2]6− | Q58278601 | ||
| NMR Chemical Shifts of Metal Centres in Polyoxometalates: Relativistic DFT Predictions | Q58278678 | ||
| Photochemical Reduction of Carbon Dioxide Catalyzed by a Ruthenium-Substituted Polyoxometalate | Q58738561 | ||
| Structural, physicochemical, and reactivity properties of an all-inorganic, highly active tetraruthenium homogeneous catalyst for water oxidation | Q43247120 | ||
| Conformational changes in a flexible, encapsulated dicarboxylate: evidence from density functional theory simulations | Q43794352 | ||
| Efficient epoxidation of olefins with >/=99% selectivity and use of hydrogen peroxide | Q44435305 | ||
| On the electronic structure of giant polyoxometalates: Mo132vs. W72Mo60. | Q44441840 | ||
| P6Mo18O73 heteropolyanion and its four-copper complex: theoretical and experimental investigation | Q44501177 | ||
| First isolated active titanium peroxo complex: characterization and theoretical study | Q44815812 | ||
| Quantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin type polyoxometalates: electronic structure and bonding features | Q45399433 | ||
| Consequences of acid strength for isomerization and elimination catalysis on solid acids. | Q46023748 | ||
| Hydrogen-bond-assisted epoxidation of homoallylic and allylic alcohols with hydrogen peroxide catalyzed by selenium-containing dinuclear peroxotungstate. | Q46028854 | ||
| Computational studies of the geometry and electronic structure of an all-inorganic and homogeneous tetra-Ru-polyoxotungstate catalyst for water oxidation and its four subsequent one-electron oxidized forms | Q46051462 | ||
| Dynamics of encapsulated water inside Mo132 cavities | Q46057628 | ||
| Prediction of remarkably large second-order nonlinear optical properties of organoimido-substituted hexamolybdates | Q46082974 | ||
| Mechanism of the divanadium-substituted polyoxotungstate [gamma-1,2-H2SiV2W10O40]4- catalyzed olefin epoxidation by H2O2: a computational study | Q46112971 | ||
| Catalytic consequences of composition in polyoxometalate clusters with Keggin structure | Q46161919 | ||
| Gated and differently functionalized (new) porous capsules direct encapsulates' structures: higher and lower density water | Q46171237 | ||
| A first principles study of water oxidation catalyzed by a tetraruthenium-oxo core embedded in polyoxometalate ligands | Q46174695 | ||
| Theoretical study on the considerable second-order nonlinear optical properties of naphthylimido-substituted hexamolybdates | Q46393338 | ||
| Mechanistic consequences of composition in acid catalysis by polyoxometalate keggin clusters | Q46431801 | ||
| Reactions of a {Mo16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation | Q46433375 | ||
| Polyoxovanadometalate-catalyzed selective epoxidation of alkenes with hydrogen peroxide | Q46593296 | ||
| Molecular dynamics simulations of dendrimer-encapsulated alpha-Keggin ions in trichloromethane solution. | Q46673951 | ||
| An all-inorganic, stable, and highly active tetraruthenium homogeneous catalyst for water oxidation | Q46693318 | ||
| Fe2 and Fe4 clusters encapsulated in vacant polyoxotungstates: hydrothermal synthesis, magnetic and electrochemical properties, and DFT calculations | Q46783605 | ||
| The high-valent iron-oxo species of polyoxometalate, if it can be made, will be a highly potent catalyst for C-H hydroxylation and double-bond epoxidation | Q46848952 | ||
| Polyoxometalate catalysts: toward the development of green H2O2-based epoxidation systems | Q46938173 | ||
| Self-assembly of a heteropolyoxopalladate nanocube: [Pd(II)13As(V)8O34(OH)6]8-. | Q47300767 | ||
| Influence of the heteroatom size on the redox potentials of selected polyoxoanions | Q47426121 | ||
| Towards an understanding of the bonding in polyoxometalates through bond order and bond energy analysis | Q47585808 | ||
| Metal-oxygen isopolyhedra assembled into fullerene topologies | Q47913766 | ||
| Electronic and magnetic properties of alpha-Keggin anions: A DFT study of [XM12O40](n-), (M = W, Mo; X = Al(III), Si(IV), P(V), Fe(III), Co(II), Co(III)) and [SiM11VO40](m- (M = Mo and W). | Q49318492 | ||
| Combined theoretical and mass spectrometry study of the formation-fragmentation of small polyoxomolybdates | Q50064737 | ||
| Dioxygen and water activation processes on multi-Ru-substituted polyoxometalates: comparison with the "blue-dimer" water oxidation catalyst. | Q50453188 | ||
| Electronic properties of polyoxometalates: electron and proton affinity of mixed-addenda Keggin and Wells-Dawson anions. | Q50497893 | ||
| Mechanism of [gamma-H2SiV2W10O40](4-)-catalyzed epoxidation of alkenes with hydrogen peroxide. | Q51061964 | ||
| Actinyl peroxide nanospheres. | Q51525473 | ||
| Optimization of a molecular mechanics force field for type-II polyoxometalates focussing on electrostatic interactions: a case study. | Q51596723 | ||
| Synthesis and characterization of a metal-to-polyoxometalate charge transfer molecular chromophore. | Q51605126 | ||
| Structural and electronic properties of hetero-transition-metal Keggin anions: a DFT Study of alpha/beta-[XW12O40]n- (X = CrVI, VV, TiIV, FeIII, CoIII, NiIII, CoII, and ZnII) relative stability. | Q51628138 | ||
| Insights into the mechanism of selective olefin epoxidation catalyzed by [gamma-(SiO4)W10O32H4]4-. A computational study. | Q51630013 | ||
| Experimental and theoretical study of the regiospecific coordination of RuII and OsII fragments on the lacunary polyoxometalate [alpha-PW11O39]7-. | Q51630453 | ||
| Density functional study of the roles of chemical composition of di-transition-metal-substituted gamma-Keggin polyoxometalate anions. | Q51630991 | ||
| The role of the central atom in structure and reactivity of polyoxometalates with adjacent d-electron metal sites. computational and experimental studies of gamma-[(Xn+O4)RuIII2(OH)2(MFM)10O32](8-n)-) for MFM = Mo and W, and X = AlIII, SiIV, PV, and | Q51631291 | ||
| Computational modeling of di-transition-metal-substituted gamma-keggin polyoxometalate anions. Structural refinement of the protonated divacant lacunary silicodecatungstate. | Q51635079 | ||
| Optimization of a molecular mechanics force field for polyoxometalates based on a genetic algorithm. | Q51677102 | ||
| Computer-generated high-valent iron--oxo and manganese--oxo species with polyoxometalate ligands: how do they compare with the iron--oxo active species of heme enzymes? | Q51986089 | ||
| Heteropoly-13-palladates(II) [Pd(II)(13)(As(V)Ph)(8)O(32)](6-) and [Pd(II)(13)Se(IV)(8)O(32)](6-). | Q53773857 | ||
| Terminal gold-oxo complexes | Q56742188 | ||
| A palladium-oxo complex. Stabilization of this proposed catalytic intermediate by an encapsulating polytungstate ligand | Q56761725 | ||
| P433 | issue | 22 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 7537-7571 | |
| P577 | publication date | 2012-08-10 | |
| P1433 | published in | Chemical Society Reviews | Q2962268 |
| P1476 | title | Structure, properties and reactivity of polyoxometalates: a theoretical perspective | |
| P478 | volume | 41 |
| Q51002183 | Accurate calculation of (31)P NMR chemical shifts in polyoxometalates. |
| Q51053958 | Alkaline earth guests in polyoxopalladate chemistry: from nanocube to nanostar via an open-shell structure. |
| Q46695027 | An overview of selected current approaches to the characterization of aqueous inorganic clusters. |
| Q37158141 | An unprecedented (3,4,24)-connected heteropolyoxozincate organic framework as heterogeneous crystalline Lewis acid catalyst for biodiesel production. |
| Q54005616 | Breaking the Gordian Knot in the Structural Chemistry of Polyoxometalates: Copper(II)-Oxo/Hydroxo Clusters. |
| Q46685967 | Bridging the opposite chemistries of tantalum and tungsten polyoxometalates |
| Q48235817 | Cation Translocation around Single Polyoxometalate-Organic Hybrid Cluster Regulated by Electrostatic and Cation-π Interactions |
| Q46581610 | Charge retention of soft-landed phosphotungstate Keggin anions on self-assembled monolayers |
| Q46893148 | Computational characterization of the internal bonding and solvation structure for [Nb10O28]aq6-. |
| Q38222647 | Computational electrochemistry: prediction of liquid-phase reduction potentials. |
| Q30577727 | Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine |
| Q48056807 | Experimental and Theoretical Investigation of the Light-Driven Hydrogen Evolution by Polyoxometalate-Photosensitizer Dyads. |
| Q57599066 | Fast and efficient synthesis of a host guest system: a mechanochemical approach |
| Q36637316 | Flexible single-layer ionic organic-inorganic frameworks towards precise nano-size separation |
| Q59510997 | Gas-Phase Fragmentation Pathways of Mixed Addenda Keggin Anions: PMo12-nWnO40 3– (n = 0–12) |
| Q57613304 | How Counterions Affect the Solution Structure of Polyoxoaurates: Insights from UV/Vis Spectral Simulations and Electrospray Mass Spectrometry |
| Q42231762 | Hybrid Materials Based on the Embedding of Organically Modified Transition Metal Oxoclusters or Polyoxometalates into Polymers for Functional Applications: A Review. |
| Q54978671 | Impact of ambient gases on the mechanism of [Cs8Nb6O19]-promoted nerve-agent decomposition. |
| Q37451247 | In situ solid-state electrochemistry of mass-selected ions at well-defined electrode-electrolyte interfaces |
| Q58226057 | In vitro cell cytotoxicity profile and morphological response to polyoxometalate-stabilised gold nanoparticles |
| Q55408844 | Large Magnetic Polyoxometalates Containing the Cobalt Cubane ‘[CoIIICo3II(OH)3(H2O)6–m(PW9O34)]3−' (m = 3 or 5) as a Subunit. |
| Q92474203 | Ligand-Directed Template Assembly for the Construction of Gigantic Molybdenum Blue Wheels |
| Q39234366 | Magnetochemical complexity of hexa- and heptanuclear wheel complexes of late-3d ions supported by N,O-donor pyridyl-methanolate ligands |
| Q46667390 | Mechanism of thioether oxidation over di- and tetrameric ti centres: kinetic and DFT studies based on model Ti-containing polyoxometalates |
| Q41446289 | Mechanistic Investigation into Olefin Epoxidation with H2O2 Catalyzed by Aqua-Coordinated Sandwich-Type Polyoxometalates: Role of the Noble Metal and Active Oxygen Position |
| Q30849442 | Modular molecules: site-selective metal substitution, photoreduction, and chirality in polyoxometalate hybrids. |
| Q51562642 | Nanopillar films with polyoxometalate-doped polyaniline for electrochemical detection of hydrogen peroxide. |
| Q58226059 | On the formation of gold nanoparticles from [AuIIICl4]− and a non-classical reduced polyoxomolybdate as an electron source: a quantum mechanical modelling and experimental study |
| Q48053479 | Orbital Engineering: Photoactivation of an Organofunctionalized Polyoxotungstate |
| Q92100778 | Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphanes and deoxygenation of styrene oxide |
| Q46853480 | Oxygenation by ruthenium monosubstituted polyoxotungstates in aqueous solution: experimental and computational dissection of a Ru(III)-Ru(V) catalytic cycle. |
| Q46827345 | Photocatalytic reactivity tuning by heterometal and addenda metal variation in Lindqvist polyoxometalates. |
| Q60321151 | Physical and Electrochemical Modulation of Polyoxometalate Ionic Liquids via Organic Functionalization |
| Q57613295 | Platinum-Containing Polyoxometalates:syn-andanti-[PtII2(α-PW11O39)2]10−and Formation of the Metal-Metal-Bonded di-PtIIIDerivatives |
| Q60177504 | Polyoxometalate Complexes as Precursors to Vanadium-Doped Molybdenum or Tungsten Oxide Thin Films by Means of Aerosol-Assisted Chemical Vapour Deposition |
| Q60022666 | Polyoxometalate Multi-Electron-Transfer Catalytic Systems for Water Splitting |
| Q45833885 | Polyoxometalate {W18O56XO6} clusters with embedded redox-active main-group templates as localized inner-cluster radicals |
| Q92446399 | Polyoxometalate-Based Catalysts for CO2 Conversion |
| Q93200073 | Polyoxometalates on Functional Substrates: Concepts, Synergies, and Future Perspectives |
| Q51567419 | Probing Polyoxometalate-Protein Interactions Using Molecular Dynamics Simulations. |
| Q48049805 | Record High-Nuclearity Polyoxoniobates: Discrete Nanoclusters {Nb114 }, {Nb81 }, and {Nb52 }, and Extended Frameworks Based on {Cu3 Nb78 } and {Cu4 Nb78 }. |
| Q49847848 | Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters |
| Q38582102 | Semimetal-functionalised polyoxovanadates |
| Q58226064 | Simultaneous Synthesis of Polyoxometalates and Metal Nanoparticles from Molecular Precursors - Redox-Active Microreactors and Functional Nanomaterials |
| Q45795638 | Size and charge effect of guest cations in the formation of polyoxopalladates: a theoretical and experimental study. |
| Q61455374 | Substitution Effect on the Charge Transfer Processes in Organo-Imido Lindqvist-Polyoxomolybdate |
| Q98293137 | Switchable Catalytic Polyoxometalate-Based Systems for Biomass Conversion to Carboxylic Acids |
| Q45407785 | Synthesis and properties of a novel quarternerized imidazolium [α-PW12O40]3- salt as a recoverable photo-polymerization catalyst |
| Q53582433 | Synthesis of α-Dawson-type silicotungstate [α-Si2W18O62]8- and protonation and deprotonation inside the aperture through intramolecular hydrogen bonds. |
| Q36382698 | Tellurite-Squarate Driven Assembly of a New Family of Nanoscale Clusters Based on (Mo2 O2 S2 )2. |
| Q92444392 | The Reactivity and Stability of Polyoxometalate Water Oxidation Electrocatalysts |
| Q52596683 | The first ReI organometallic complex with an organoimido-polyoxometalate ligand. |
| Q44379151 | Theoretical study on the rectifying performance of organoimido derivatives of hexamolybdates |
| Q60462422 | Tris(organotin)tungstogermanate, a Sandwich Organometallic Derivative of a Keggin-Type Polyoxometalate: Synthesis and DFT Study |
| Q64032937 | Tungsten Redox Waves in [XMW11O40]n-(X = P, Si, Al and M = W, Mo, V, Nb, Ti) Keggin Compounds - Effect of Localised/Delocalised Charges |
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