Related references
Note: Only part of the references are listed.A Journey inside the U28 Nanocapsule
Adria Gil et al.
CHEMISTRY-A EUROPEAN JOURNAL (2012)
Counterion effects on the 183W NMR spectra of the lacunary Keggin polyoxotungstate [PW11O39]7-. Relativistic DFT calculations
Alessandro Bagno
COMPTES RENDUS CHIMIE (2012)
Do Keggin anions repulse each other in solution? The effect of solvent, counterions and ion representation investigated by free energy (PMF) simulations
Alain Chaumont et al.
COMPTES RENDUS CHIMIE (2012)
On the electronic structure of giant polyoxometalates: Mo132 vs. W72Mo60
Carles Bo et al.
DALTON TRANSACTIONS (2012)
Exploring the rotational isomerism in non-classical Wells-Dawson anions {W18X}: a combined theoretical and mass spectrometry study
Laia Vila-Nadal et al.
DALTON TRANSACTIONS (2012)
Theoretical investigation of structural and electronic propertyies of [PW12O40]3- on graphene layer
Shizheng Wen et al.
DALTON TRANSACTIONS (2012)
Uranyl-Peroxide Nanocapsules: Electronic Structure and Cation Complexation in [(UO2)20(μ-O2)30]20-
Pere Miro et al.
INORGANIC CHEMISTRY (2012)
Revisiting the Polyoxometalate-Based Late-Transition-Metal-Oxo Complexes: The Oxo Wall Stands
Kevin P. O'Halloran et al.
INORGANIC CHEMISTRY (2012)
The structure-property relationship of chiral 1,1′-binaphthyl-based polyoxometalates: TDDFT studies on the static first hyperpolarizabilities and the ECD spectra
Jian-Ping Wang et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2012)
Palladium(II) Containing γ-Keggin Silicodecatungstate That Efficiently Catalyzes Hydration of Nitriles
Tomohisa Hirano et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Polyoxometalates adsorbed on metallic surfaces: immediate reduction of [SiW12O40]4- on Ag(100)
Xavier Aparicio-Angles et al.
CHEMICAL SCIENCE (2012)
Softening of Pore and Interior Properties of a Metal-Oxide-Based Capsule: Substituting 60 Oxide by 60 Sulfide Ligands
Christian Schaeffer et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Lanthanide Polyoxocationic Complexes: Experimental and Theoretical Stability Studies and Lewis Acid Catalysis
Hani El Moll et al.
CHEMISTRY-A EUROPEAN JOURNAL (2011)
Reactive ZrIV and HfIV Butterfly Peroxides on Polyoxometalate Surfaces: Bridging the Gap between Homogeneous and Heterogeneous Catalysis
Mauro Carraro et al.
CHEMISTRY-A EUROPEAN JOURNAL (2011)
Efficient Epoxidation of Electron-Deficient Alkenes with Hydrogen Peroxide Catalyzed by [γ-PW10O38V2(μ-OH)2]3-
Keigo Kamata et al.
CHEMISTRY-A EUROPEAN JOURNAL (2011)
New Insights into Keggin-Type 12-Tungstophosphoric Acid from 31P MAS NMR Analysis of Absorbed Trimethylphosphine Oxide and DFT Calculations
Shing-Jong Huang et al.
CHEMISTRY-AN ASIAN JOURNAL (2011)
Quantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin type polyoxometalates: electronic structure and bonding features
Chun-Guang Liu et al.
DALTON TRANSACTIONS (2011)
Theoretical characterization of a Ru N-Heterocyclic Carbene derivative of a polyoxometalate. Enhanced pi-interaction in oxide supported TM-organic linkages
Nadya S. Antonova et al.
DALTON TRANSACTIONS (2011)
Bonding Interactions between Nitrous Oxide (N2O) and Mono-Ruthenium Substituted Keggin-Type Polyoxometalates: Electronic Structures of Ruthenium/N2O Adducts
Chun-Guang Liu et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2011)
Synthesis and Theoretical Hirshfeld Analysis of a Supramolecular Heteropolyoxovanadate Architecture
Mathias Grabau et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2011)
On the Origin of the Relative Stability of Wells-Dawson Isomers: A DFT Study of α-, β-, γ-, α*-, β*-, and γ*-[(PO4)2W18O54]6- Anions
Fu-Qiang Zhang et al.
INORGANIC CHEMISTRY (2011)
[HxTeV9O28](5-x)- (x=1 and 2): Vanadotellurates with Decavanadate Structure
Saki Konaka et al.
INORGANIC CHEMISTRY (2011)
Polyoxomolybdodiphosphonates: Examples Incorporating Ethylidenepyridines
Abhishek Banerjee et al.
INORGANIC CHEMISTRY (2011)
Exploring the Structure and Properties of Transition Metal Templated {VM17(VO4)2} Dawson-Like Capsules
Haralampos N. Miras et al.
INORGANIC CHEMISTRY (2011)
Combined Theoretical and Mass Spectrometry Study of the Formation-Fragmentation of Small Polyoxomolybdates
Laia Vila-Nadal et al.
INORGANIC CHEMISTRY (2011)
Electronic Properties and Molecular Simulations of Polyoxometalates
Carles Bo et al.
ISRAEL JOURNAL OF CHEMISTRY (2011)
Catalytic consequences of acid strength in the conversion of methanol to dimethyl ether
Robert T. Carr et al.
JOURNAL OF CATALYSIS (2011)
Optimization of a Molecular Mechanics Force Field for Polyoxometalates Based on a Genetic Algorithm
Blandine Courcot et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Optimization of a Molecular Mechanics Force Field for Type-II Polyoxometalates Focussing on Electrostatic Interactions: A Case Study
Blandine Courcot et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Predicting the UV Spectrum of Polyoxometalates by TD-DFT
Davide Ravelli et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Modeling the Interactions Between Polyoxometalates and Their Environment
Blandine Courcot et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Protonation of Phosphovanadomolybdates H3+xPVxMo12-xO40: Computational Insight Into Reactivity
Irena Efremenko et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Dynamics of Encapsulated Water inside Mo132 Cavities
Miguel Garcia-Rates et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates
Kazuhiro Uehara et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Synthesis and Characterization of a Metal-to-Polyoxometalate Charge Transfer Molecular Chromophore
Chongchao Zhao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Polyoxometalate-Based Metal Organic Frameworks (POMOFs): Structural Trends, Energetics, and High Electrocatalytic Efficiency for Hydrogen Evolution Reaction
Brigitte Nohra et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Quantum chemical studies on Re-Re quadruple-bonded Keggin-type polyoxometalate ([Re2III(PW11O39)2]8-): Bonding feature and electron spectrum
Chun-Guang Liu
MOLECULAR PHYSICS (2011)
Exploring the thermochromism of sulfite-embedded polyoxometalate capsules
Ryo Tsunashima et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Polyoxometalate grafting onto silica: stability diagrams of H3PMo12O40 on {001}, {101}, and {111} beta-cristobalite surfaces analyzed by DFT
Xavier Rozanska et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Towards the computational modelling of polyoxoanions on metal surfaces: IR spectrum characterisation of [SiW12O40](4-) on Ag(111)
Xavier Aparicio-Angles et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters
Laia Vila-Nadal et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
A first principles study of water oxidation catalyzed by a tetraruthenium-oxo core embedded in polyoxometalate ligands
Simone Piccinin et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Current trends in the computational modelling of polyoxometalates
Xavier Lopez et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
The role of the heteroatom (X = SiIV, PV, and SVI) on the reactivity of {γ-[(H2O)RuIII(μ-OH)2RuIII(H2O)][X n+W10O36]}(8-n)- with the O2 molecule
Aleksey E. Kuznetsov et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
Quantum chemical studies of Lindqvist-type polyoxometalates containing late 3d transition metals ([(py)MIIW5O18]4- (M = Fe, Co, Ni)): MII-N bonding and second-order nonlinear optical properties
Sha Cong et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
DFT studies on the electronic properties of organometallic-polyoxomolybdate anions [Cp*nMo6O19-n](2-n)- (n=1 or 2): Revealing bonding features of Cp*-Mo
Jian-Ping Wang et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2011)
NMR Spectra of Terminal Oxo Gold and Platinum Complexes: Relativistic DFT Predictions
Alessandro Bagno et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
A Noble-Metalate Bowl: The Polyoxo-6-vanado(V)-7-palladate(II) [Pd7V6O24(OH)(2)](6-)
Natalya V. Izarova et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Polyoxometalates: Building Blocks for Functional Nanoscale Systems
De-Liang Long et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
A DFT study on the electronic and redox properties of [X8V14O50]n- (X = SiIV, GeIV, PV, and AsV)
Muhammad Ramzan Saeed Ashraf Janjua et al.
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE (2010)
Mechanistic Investigation into the Rearrangement of Lactone into Methacrylic Acid over Phosphomolybdic Acid Catalyst
Ngoc Ha Nguyen et al.
CATALYSIS LETTERS (2010)
Luminescence in Ce-IV polyoxometalate [Ce(W5O18)(2)](8-): a combined experimental and theoretical study
Lindsay E. Roy et al.
CHEMICAL COMMUNICATIONS (2010)
Solid-state 95Mo NMR of mixed-valence polyoxomolybdates (V, VI) with localized or delocalized d1 electrons
Takahiro Iijima et al.
CHEMICAL PHYSICS LETTERS (2010)
Polyoxopalladates Encapsulating Yttrium and Lanthanide Ions, [(XPd12II)-Pd-III(AsPh)(8)O-32](5-) (X = Y, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu)
Maria Barsukova et al.
CHEMISTRY-A EUROPEAN JOURNAL (2010)
Photochemical Reduction of Carbon Dioxide Catalyzed by a Ruthenium-Substituted Polyoxometalate
Alexander M. Khenkin et al.
CHEMISTRY-A EUROPEAN JOURNAL (2010)
Towards the Accurate Calculation of W-183 NMR Chemical Shifts in Polyoxometalates: The Relevance of the Structure
Laia Vila-Nadal et al.
CHEMISTRY-AN ASIAN JOURNAL (2010)
Prediction of second-order optical nonlinearity of porphyrin-metal-polyoxometalate sandwich compounds
Chan Yao et al.
DALTON TRANSACTIONS (2010)
Assembly of titanium embedded polyoxometalates with unprecedented structural features
Thomas McGlone et al.
DALTON TRANSACTIONS (2010)
Structure-related frustrated magnetism of nanosized polyoxometalates: aesthetics and properties in harmony
Paul Koegerler et al.
DALTON TRANSACTIONS (2010)
P6Mo18O73 heteropolyanion and its four-copper complex: theoretical and experimental investigation
Fu-Qiang Zhang et al.
DALTON TRANSACTIONS (2010)
Ionic association of Ce(IV)-decatungstate in the context of heteroatom reduction
Pavel A. Zagrebin et al.
ELECTROCHIMICA ACTA (2010)
Epoxidation of Alkenes with H2O2 Catalyzed by Dititanium-Containing 19-Tungstodiarsenate(III): Experimental and Theoretical Studies
Baira G. Donoeva et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2010)
Quantum Chemical Design for Enhanced Second-Order NLO Response of Terpyridine-Substituted Hexamolybdates
Muhammad Ramzan Saeed Ashraf Janjua et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2010)
Epoxidation of Alkenes with Hydrogen Peroxide Catalyzed by Selenium-Containing Dinuclear Peroxotungstate and Kinetic, Spectroscopic, and Theoretical Investigation of the Mechanism
Keigo Kamata et al.
INORGANIC CHEMISTRY (2010)
Influence of the Heteroatom Size on the Redox Potentials of Selected Polyoxoanions
Israel-Martyr Mbomekalle et al.
INORGANIC CHEMISTRY (2010)
Synthesis, X-ray structure, density functional theory (DFT) study on electronic and optical properties of a novel 2D-polyoxovanadate anionic compound
Yi-Ping Tong et al.
INORGANIC CHEMISTRY COMMUNICATIONS (2010)
Electronic structure and surface properties of the mixed-valence doughnut shaped polyoxomolybdate nanocapsule Mo57V6
Jorge A. Fernandez et al.
INORGANICA CHIMICA ACTA (2010)
Synthesis, structure, and characterization of two polyoxometalate-photosensitizer hybrid materials
Jie Song et al.
INORGANICA CHIMICA ACTA (2010)
Which Atomic Charges are Best Adapted to Describe Polyoxometalates?
Blandine Courcot et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-substituted hexamolybdates: Structural modelling towards a rational entry to NLO materials
Muhammad Ramzan Saeed Ashraf Janjua et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2010)
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
David Quinonero et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Electronic Properties of Unprecedented Bridging Organoimido-Substituted Hexamolybdate: New Insights from Density Functional Theory Study
Likai Yan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Controlled Interactions between Anhydrous Keggin-Type Heteropolyacids and Silica Support: Preparation and Characterization of Well-Defined Silica-Supported Polyoxometalate Species
Eva Grinenval et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Understanding the Structure and Formation of Uranyl Peroxide Nanoclusters by Quantum Chemical Calculations
Bess Vlaisavljevich et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Mechanistic Insights into Alkene Epoxidation with H2O2 by Ti-and other TM-Containing Polyoxometalates: Role of the Metal Nature and Coordination Environment
Nadya S. Antonova et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
On the Origin of the Cation Templated Self-Assembly of Uranyl-Peroxide Nanoclusters
Pere Miro et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Theoretical investigation of electronic properties and redox properties for purely inorganic and aryloxide substituted Ti-containing POM derivatives
Ping Song et al.
MOLECULAR PHYSICS (2010)
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
L. Marleny Rodriguez Albelo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Unprecedented and Differently Applicable Pentagonal Units in a Dynamic Library: A Keplerate of the Type {(W)W-5}(12){Mo-2}(30)
Christian Schaeffer et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Nucleation Mechanisms of Molecular Oxides: A Study of the Assembly-Dissassembly of [W6O19](2-) by Theory and Mass Spectrometry
Laia Vila-Nadal et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Supramolecular Chemistry on a Cluster Surface: Fixation/Complexation of Potassium and Ammonium Ions with Crown-Ether-Like Rings
Achim Mueller et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Towards a computational treatment of polyoxometalates in solution using QM methods and explicit solvent molecules
Pere Miro et al.
CANADIAN JOURNAL OF CHEMISTRY (2009)
Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water
Tamoghna Mitra et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Vicinal Dinitridoruthenium-Substituted Polyoxometalates γ-[XW10O38{RuN}2]6- (X = Si or Ge)
Claire Besson et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Theoretical studies on nitrido ruthenium (VI) porphyrin and high valent ruthenium nitrido derivatives of Keggin typical polyoxometalate ([PW11O39{(RuN)-N-VI}](4-)): electronic structures and bonding features
Chun-Guang Liu et al.
DALTON TRANSACTIONS (2009)
Ternary Porphyrinato HfIV and ZrIV Polyoxometalate Complexes
Alexander Falber et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2009)
A Quantum Mechanical Study of the Second-Order Nonlinear Optical Properties of Aryldiazenido-Substituted Hexamolybdates: A Surprising Charge Transfer
Muhammad Ramzan Saeed Ashraf Janjua et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2009)
Theoretical Analysis of the Possible Intermediates in the Formation of [W6O19](2-)
Laia Vila-Nadal et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2009)
NMR Chemical Shifts of Metal Centres in Polyoxometalates: Relativistic DFT Predictions
Nina Vankova et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2009)
A Quantum Chemical Study of the Structure, Bonding Characteristics and Nonlinear Optical Properties of Aryloxido and Salicylaldehydo Derivatives of [XW5O18](3-) (X = Zr or Ti)
Jia Zhuang et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2009)
Quantum Chemical Studies on High-Valent Metal Nitrido Derivatives of Keggin-Type Polyoxometalates ([PW11O39{MVIN}]4- (M = Ru, OS, Re)): MVI-N Bonding and Electronic Structures
Chun-Guang Liu et al.
INORGANIC CHEMISTRY (2009)
Dynamic Properties of a Hexadecamolybdenum Wheel: Studies in Solution and Density Functional Theory Calculations
Ali Kachmar et al.
INORGANIC CHEMISTRY (2009)
Second-Order Nonlinear Optical Properties of Trisubstituted Keggin and Wells-Dawson Polyoxometalates: Density Functional Theory Investigation of the Inorganic Donor-Conjugated Bridge-Acceptor Structure
Chun-Guang Liu et al.
INORGANIC CHEMISTRY (2009)
Mechanism of the Divanadium-Substituted Polyoxotungstate [γ-1,2-H2SiV2W10O40]4- Catalyzed Olefin Epoxidation by H2O2: A Computational Study
Aleksey E. Kuznetsov et al.
INORGANIC CHEMISTRY (2009)
Heteropoly-13-Palladates(II) [Pd13II(AsVPh)8O32]6- and [Pd13IISe8IVO32]6-
Natalya V. Izarova et al.
INORGANIC CHEMISTRY (2009)
Theoretical Studies on Redox Properties, Protonation Sites, and Electronic Spectrum of a New Type of Polyoxometalate [Ti12Nb6O44](10-) by DFT
Yan-Ling Si et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
Functional assessment of the strength of solid acid catalysts
Josef Macht et al.
JOURNAL OF CATALYSIS (2009)
Conformational Changes in a Flexible, Encapsulated Dicarboxylate: Evidence from Density Functional Theory Simulations
Ali Kachmar et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Prediction of Remarkably Large Second-Order Nonlinear Optical Properties of Organoimido-Substituted Hexamolybdates
Muhammad Ramzan Saeed Ashraf Janjua et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Polyoxometalate Keggin Anions at Aqueous Interfaces with Organic Solvents, Ionic Liquids, and Graphite: a Molecular Dynamics Study
Alain Chaumont et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Second-Order Nonlinear Optical Properties of Transition-Metal-Trisubstituted Polyoxometalate-Diphosphate Complexes: A Donor-Conjugated Bridge-Acceptor Paradigm for Totally Inorganic Nonlinear Optical Materials
Chun-Guang Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Correlating Acid Properties and Catalytic Function: A First-Principles Analysis of Alcohol Dehydration Pathways on Polyoxometalates
Michael J. Janik et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Water Oxidation at a Tetraruthenate Core Stabilized by Polyoxometalate Ligands: Experimental and Computational Evidence To Trace the Competent Intermediates
Andrea Sartorel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Dioxygen and Water Activation Processes on Multi-Ru-Substituted Polyoxometalates: Comparison with the Blue-Dimer Water Oxidation Catalyst
Aleksey E. Kuznetsov et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Structural, Physicochemical, and Reactivity Properties of an All-inorganic, Highly Active Tetraruthenium Homogeneous Catalyst for Water Oxidation
Yurii V. Geletii et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Hydrogen-Bond-Assisted Epoxidation of Homoallylic and Allylic Alcohols with Hydrogen Peroxide Catalyzed by Selenium-Containing Dinuclear Peroxotungstate
Keigo Kamata et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Zeolitic Polyoxometalate-Based Metal-Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1
L. Marleny Rodriguez-Albelo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Consequences of Acid Strength for Isomerization and Elimination Catalysis on Solid Acids
Josef Macht et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
THE INVESTIGATION ON ELECTRONIC PROPERTIES AND STABILITY OF POLYOXOMETALATES FUNCTIONALIZED BY ORGANOMETALLIC TITANIUM [CpTi • SiW9V3O40]4- BY DENSITY FUNCTIONAL THEORY
Yanling Si et al.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2009)
Experimental and Computational Study of the Framework Fluxionality of Organometallic Derivatives of Polyoxometalates: Analysis of the Effect of the Metal and of the Solvent
Danielle Laurencin et al.
ORGANOMETALLICS (2009)
The comparative investigation on redox property and second-order nonlinear response of Keggin-type alpha-[PM12O39NPh](3-) (M = W and Mo) and Mo6NPh
Song Ping et al.
CHINESE SCIENCE BULLETIN (2009)
Metal-oxygen isopolyhedra assembled into fullerene topologies
Tori Z. Forbes et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Platinum-Containing Polyoxometalates
Ulrich Kortz et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Self-Assembly of a Heteropolyoxopalladate Nanocube: [(Pd13As8O34)-As-II-O-V(OH)(6)](8-)
Elena V. Chubarova et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
An all-inorganic, stable, and highly active tetraruthenium homogeneous catalyst for water oxidation
Yurii V. Geletii et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Functionalization of polyoxometalates: towards advanced applications in catalysis and materials science
Anna Proust et al.
CHEMICAL COMMUNICATIONS (2008)
Mid-gap excitations in Anderson polyoxometalates
Susana Romo et al.
CHEMICAL PHYSICS LETTERS (2008)
Fe-2 and Fe-4 clusters encapsulated in vacant polyoxotungstates: Hydrothermal synthesis, magnetic and electrochemical properties, and DFT calculations
Celine Pichon et al.
CHEMISTRY-A EUROPEAN JOURNAL (2008)
Influence of polyoxometalate ligands on the nature of high-valent transition metal nitrido species. A theoretical analysis of experimentally known and unprecedented compounds
Susanna Romo et al.
DALTON TRANSACTIONS (2008)
Tuning the thermodynamic stability of oxothiomolybdenum wheels: crystal structures, studies in solution and DFT calculations
Jean-Francois Lemonnier et al.
DALTON TRANSACTIONS (2008)
Theoretical study of the relative stabilities of the α/β3-[XW11O39]m- lacunary polyoxometalates (X = P, Si)
Danielle Laurencin et al.
INORGANIC CHEMISTRY (2008)
Tetravalent metal complexation by Keggin and lacunary phosphomolybdate anions
Roy Copping et al.
INORGANIC CHEMISTRY (2008)
Syntheses, structural characterizations and electronic absorption spectra simulation of three phenylimido substituted hexamolybdates incorporating a remote chloro group
Qiang Li et al.
INORGANICA CHIMICA ACTA (2008)
Water Dissociation on α1-Hafnium and Ytterbium Substituted Dawson Polyoxotungstates: A Density Functional Theory Study
Etienne Derat et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Theoretical study on the considerable second-order nonlinear optical properties of naphthylimido-substituted hexamolybdates
Li-Kai Yan et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Molecular dynamics simulations of dendrimer-encapsulated α-keggin ions in trichloromethane solution
Ralf Brodbeck et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Keggin polyoxoanions in aqueous solution: Ion pairing and its effect on dynamic properties by molecular dynamics simulations
Frederic Leroy et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
A new class of efficient electrocatalysts for the reduction of protons into hydrogen based on the [Mo2O2S2]2+ building block
Bineta Keita et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
H2O2 activation by heteropolyacids with defect structures:: the case of γ-[(XO4)W10O32]n- (X = Si, Ge, n=8; X = P, n=7)
Andrea Sartorel et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2008)
Polyoxometalate embedding of a tetraruthenium(IV)-oxo-core by template-directed metalation of [γ-SIW10O36]8-:: A totally inorganic oxygen-evolving catalyst
Andrea Sartorel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
On the origin of alternating bond distortions and the emergence of chirality in polyoxometalate anions
Likai Yan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Mechanistic consequences of composition in acid catalysis by polyoxometalate Keggin clusters
Josef Macht et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Synthetic Ion Channels via Self-Assembly: A Route for Embedding Porous Polyoxometalate Nanocapsules in Lipid Bilayer Membranes
Rogan Carr et al.
NANO LETTERS (2008)
Ion aggregation in concentrated aqueous and methanol solutions of polyoxometallates Keggin anions: the effect of counterions investigated by molecular dynamics simulations
Alain Chaumont et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Polyoxometalates with internal cavities:: Redox activity, basicity, and cation encapsulation in [Xn+P5W30O110](15-n) Preyssler complexes, with X = Na+, Ca2+, Y3+, La3+, Ce3+, and Th4+
Jorge A. Fernandez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Terminal gold-oxo complexes
Rui Cao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Phenylimido functionalization of α-[PW12O40]3-
Jeff C. Duhacek et al.
INORGANIC CHEMISTRY (2007)
The electronic structure of reduced phosphovanadomolybdates and the implications on their use in catalytic oxidation initiated by electron transfer
Hajime Hirao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Theoretical studies on the geometry, vibrational frequencies and electronic properties of [X(OH)6Mo6O18]4-/3- (X = FeII/CoIII) Anderson-type anions
M. H. Alizadeh et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2007)
Density functional theory and ab initio study of electronic and electrochemistry properties of the tetranuclear sandwich complex [FeIII4(H2O)2(PW9O34)2]6-
Susanna Romo et al.
INORGANIC CHEMISTRY (2007)
Inversed stability order in Keggin polyoxothiometalate isomers:: A DFT study of 12-electron reduced α, β, γ, δ, and ε [(MoO4)Mo12O12S12(OH)12]2- anions
Fu-Qiang Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Mechanism of [γ-H2SiV2W10O40]4--catalyzed epoxidation of alkenes with hydrogen peroxide
Yoshinao Nakagawa et al.
INORGANIC CHEMISTRY (2007)
A density functional study of geometry and electronic structures of [(SiO4)(MIII)2(OH)2W10O32]4-, M = Mo, Ru and Rh
David Quinonero et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2007)
A DFT study on the effect of metal, anion charge, heteroatom and structure upon the relative basicities of polyoxoanions
Jorge A. Fernandez et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2007)
Structural and electronic properties of hetero-transition-metal keggin anions:: A DFT study of α/β-[XW12O40]n- (X = CrVI, VV, TiIV, FeIII, CoIII, NiIII, CoII, and ZnII) relative stability
Fu-Qiang Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Host-guest adaptability within oxothiomolybdenum wheels: structures, studies in solution and DFT calculations
Jean-Francois Lemonnier et al.
DALTON TRANSACTIONS (2007)
Asymmetric tetraprotonation of gamma-[(SiO4)W10O32](8-) triggers a catalytic epoxidation reaction: Perspectives in the assignment of the active catalyst
Andrea Sartorel et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Catalytic consequences of composition in polyoxometalate clusters with keggin structure
Josef Macht et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
A DFT study on the electronic and redox properties of [PW11O39(ReN)]n-(n=3, 4, 5) and [PW11O39(OsN)]2-
Li-Kai Yan et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2006)
Characterization of manganese(V)-oxo polyoxometalate intermediates and their properties in oxygen-transfer reactions
Alex M. Khenkin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Density functional theory and Hartree-Fock studies:: Geometry, vibrational frequencies and electronic properties of Anderson-type heteropolyanion, [XM6O24]n- (X = TeVI, IVII and M = Mo, W) and [SbVW6O24]7-
M. H. Alizadeh et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2006)
A density functional theory study of the alkylation of isobutane with butene over phosphotungstic acid
Michael J. Janik et al.
JOURNAL OF CATALYSIS (2006)
Experimental and theoretical investigations of the sulfite-based polyoxometalate cluster redox series:: α- and β-[Mo18O54(SO3)2]4-15-16-
Carole Baffert et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
Computational modeling of polyoxotungstates by relativistic DFT calculations of 183W NMR chemical shifts
Alessandro Bagno et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
Rates of oxygen exchange between the [HxNb6O19](aq)8-x Lindqvist ion and aqueous solutions
Jay R. Black et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Catalysts for monooxygenations made from polyoxometalate: An iron(V)-oxo derivative of the Lindqvist anion
Etienne Derat et al.
INORGANIC CHEMISTRY (2006)
How do the different defect structures and element substitutions affect the nonlinear optical properties of lacunary Keggin polyoxometalates? A DFT study
Wei Guan et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2006)
Prediction of second-order optical nonlinearity of trisorganotin-substituted β-Keggin polyoxotungstate
Wei Guan et al.
INORGANIC CHEMISTRY (2006)
Ab initio and DFT study of the exchange coupling in the highly reduced polyoxoanion [PMo12O40(VO)2]5-
Antonio Rodriguez-Fortea et al.
CHEMICAL PHYSICS LETTERS (2006)
ZrIV-monosubstituted Keggin-type dimeric polyoxometalates:: Synthesis, characterization, catalysis of H2O2-based oxidations, and theoretical study
Oxana A. Kholdeeva et al.
INORGANIC CHEMISTRY (2006)
The true nature of the di-iron(III) γ-keggin structure in water:: Catalytic aerobic oxidation and chemistry of an unsymmetrical trimer
Bogdan Botar et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Structural evolution in polyoxometalates:: A DFT study of dimerization processes in Lindqvist and Keggin cluster anions
Xavier Lopez et al.
INORGANIC CHEMISTRY (2006)
A quantum chemical study of tertiary carbenium ions in acid catalyzed hydrocarbon conversions over phosphotungstic acid
Michael J. Janik et al.
CATALYSIS TODAY (2006)
Synthesis and characterization of octa- and hexanuclear polyoxomolybdate wheels:: Role of the inorganic template and of the counterion
Anne Dolbecq et al.
INORGANIC CHEMISTRY (2006)
Insights into the mechanism of selective olefin epoxidation catalyzed by [γ-(SiO4)W10O32H4]4-.: A computational study
Rajeev Prabhakar et al.
INORGANIC CHEMISTRY (2006)
Structure and stability of neutral polyoxometalate cages:: (Mo2O6)m (m=1-13)
Fu-Qiang Zhang et al.
JOURNAL OF MOLECULAR MODELING (2006)
Density functional study of protonation sites of α-Keggin isopolyanions
W Guan et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
Observation and theoretical analysis of the sensitive coordination sites in the isopolyoxomolybdate cluster [Mo36O112(H2O)14]8-
De-Liang Long et al.
JOURNAL OF CLUSTER SCIENCE (2006)
Experimental and theoretical study of the regiospecific coordination of RuII and OsII fragments on the lacunary polyoxometalate [α-PW11O39]7-
Danielle Laurencin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Catalytic oxidation performance of the α-Keggin-type vanadium-substituted heteropolymolybdates:: A density functional theory study on [PVnMo12-nO40](3+n)- (n=0-3)
Jinyue Wang et al.
JOURNAL OF CATALYSIS (2006)
Synthesis, crystal structure and quantum study of organoammonium polyoxomolybdate with one-dimension chain containing face-shared molybdenum-oxygen octahedra
YG Chen et al.
INORGANICA CHIMICA ACTA (2006)
Density functional study of the roles of chemical composition of di-transition-metal-substituted γ-Keggin polyoxometalate anions
Y Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
A quantum chemical study of the decomposition of Keggin-structured heteropolyacids
MJ Janik et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
The role of the central atom in structure and reactivity of polyoxometalates with adjacent d-electron metal sites.: Computational and experimental studies of γ-[(Xn+ O4)RuIII 2(OH)2(MFM)10O32](8-n)- for MFM = Mo and W, and X= AlIII, SiIV, PV, and SVI
D Quiñonero et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Redox properties of polyoxometalates: new insights on the anion charge effect
X Lopez et al.
DALTON TRANSACTIONS (2006)
Polyoxometalate catalysts: Toward the development of green H2O2-based epoxidation systems
N Mizuno et al.
CHEMICAL RECORD (2006)
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
D Kumar et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Density functional theory study on the first hyperpolarizabilities of organoimido derivatives of hexamolybdates
LK Yan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
On the α/β-[AlW12O40]5- stability:: Revisited
FQ Zhang et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2005)
Insight into the structure and intrinsic stability of the Keggin and Wells-Dawson neutral cages
FQ Zhang et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2005)
A palladium-oxo complex. Stabilization of this proposed catalytic intermediate by an encapsulating polytungstate ligand
TM Anderson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
The relationship between adsorption and solid acidity of heteropolyacids
MJ Janik et al.
CATALYSIS TODAY (2005)
Asymmetric terminal ligation on substituted sites in a disorder-free Keggin anion, [β-SiFe2W10O36(OH)2(H2O)Cl]5-
B Botar et al.
DALTON TRANSACTIONS (2005)
Synthesis, structural characterization, and molecular modeling of dodecaniobate Keggin chain materials
F Bonhomme et al.
INORGANIC CHEMISTRY (2005)
Polyoxometalates in solution:: Molecular dynamics simulations on the α-PW12O403- keggin anion in aqueous media
X López et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Electronic properties and stability of dititaniumIV substituted α-keggin polyoxotungstate with heteroatom phosphorus by DFT
W Guan et al.
INORGANIC CHEMISTRY (2005)
Highly reduced polyoxometalates: Ab initio and DFT study of [PMo8V4O40(VO)(4)](5-)
X Lopez et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Reactions of a {Mo-16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation
DL Long et al.
DALTON TRANSACTIONS (2005)
Polyoxovanadometalate-catalyzed selective epoxidation of alkenes with hydrogen peroxide
Y Nakagawa et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Covalent immobilization of a TiW5 polyoxometalate on derivatized silicon surfaces
RJ Errington et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Actinyl peroxide nanospheres
PC Burns et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Vicinal tungsten-tungsten coupling constants in polyoxotungstates: DFT calculations challenge an empirical rule
A Bagno et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
A new octamolybdate:: observation of the θ-isomer in [Fe(tpyprZ)2]2[Mo8O26]•.3.7H2O (tpyprz = tetra-2-pyridylpyrazine)
DG Allis et al.
POLYHEDRON (2004)
First isolated active titanium peroxo complex:: Characterization and theoretical study
OA Kholdeeva et al.
INORGANIC CHEMISTRY (2004)
Comparison of polyoxo and polyoxothiometallate rings: a theoretical approach
H Jamet et al.
NEW JOURNAL OF CHEMISTRY (2004)
Vibrational spectroscopy of a Keggin polyoxometalate on metal electrode surfaces
CM Teague et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Crystal and electronic structure of a protonated imidazole diphosphopentamolybdenum(VI) polyoxometalate:: (C4H7N2)4[HP2No5O23]•H3O-4.5H2O
SM Yue et al.
JOURNAL OF COORDINATION CHEMISTRY (2004)
Are the solvent effects critical in the modeling of polyoxoanions?
X López et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Reaction to why do we teach equilibrium calculations?
DL Lewis
JOURNAL OF CHEMICAL EDUCATION (2004)
A first principles analysis of the location and affinity of protons in the secondary structure of phosphotungstic acid
MJ Janik et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
A late-transition metal oxo complex:: K7Na9[O=PtIV(H2O)L2]. L = [PW9O34]9-
TM Anderson et al.
SCIENCE (2004)
Atomic and electronic structures of hydrated polymolybdates by first principles calculations
A Togo et al.
MATERIALS TRANSACTIONS (2004)
Computational modeling of di-transition-metal-substituted γ-Keggin polyoxometalate anions.: Structural refinement of the protonated divacant lacunary silicodecatungstate
DG Musaev et al.
INORGANIC CHEMISTRY (2004)
Why does disubstituted hexamolybdate with arylimido prefer to form an orthogonal derivative? Analysis of stability, bonding character, and electronic properties on molybdate derivatives by density functional theory (DFT) study
LK Yan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Computational study of the vibrational spectra of α- and β-Keggin polyoxometalates
AJ Bridgeman
CHEMISTRY-A EUROPEAN JOURNAL (2004)
The cluster ion [Pt12O8(SO4)(12)](4-)
M Pley et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
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?
SP de Visser et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
DFT study on the five isomers of PW12O403-:: Relative stabilization upon reduction
X López et al.
INORGANIC CHEMISTRY (2004)
Theoretical studies on the electronic and spectroscopic properties of Keggin-structure polyoxometalates α/β-[XM12O40]n- (X = Si, P; M = Mo, W)
YR Guo et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2004)
Synthesis, structure, and molecular modeling of a titanoniobate isopolyanion
M Nyman et al.
JOURNAL OF SOLID STATE CHEMISTRY (2003)
Metastable states associated with a change in the metal-metal bonding network of (MoV)6 polyoxoanions:: a DFT study of [(Mo2VO4)3(μ6-CO3)(μ-CO3)3(μ-OH)3]5-
MM Rohmer et al.
DALTON TRANSACTIONS (2003)
Ab initio and DFT modelling of complex materials:: towards the understanding of electronic and magnetic properties of polyoxometalates
JM Poblet et al.
CHEMICAL SOCIETY REVIEWS (2003)
Unraveling water structure inside and between nanocapsules
M Henry
JOURNAL OF CLUSTER SCIENCE (2003)
A comparative investigation of structure and bonding in Mo and W[TeM6O24]6- and [PM12O40]3- heteropolyanions
AJ Bridgeman et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Computational analysis of Mo and W oxoanions through bond order and bonding energy approaches
AJ Bridgeman et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Efficient epoxidation of olefins with ≥ 99% selectivity and use of hydrogen peroxide
K Kamata et al.
SCIENCE (2003)
Relative stability in α- and β-Wells-Dawson heteropolyanions:: A DFT study of [P2M18O62]n- (M = W and Mo) and [P2W15V3O62]n-
X López et al.
INORGANIC CHEMISTRY (2003)
Relativistic DFT calculations of polyoxotungstate 183W NMR spectra:: Insight into their solution structure
A Bagno et al.
CHEMPHYSCHEM (2003)
A theoretical-experimental study of Wells-Dawson acid - An explanation of their catalytic activity
JE Sambeth et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2003)
Structure of a cavity-encapsulated nanodrop of water
AA Muller et al.
INORGANIC CHEMISTRY COMMUNICATIONS (2003)
Towards an understanding of the bonding in polyoxometalates through bond order and bond energy analysis
AJ Bridgeman et al.
FARADAY DISCUSSIONS (2003)
The electronic structure and stability of the isomers of octamolybdate
AJ Bridgeman
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Electronic properties of polyoxometalates:: Electron and proton affinity of mixed-addenda Keggin and Wells-Dawson anions
X López et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Bonding in [W4O16]8- isopolyanions
AJ Bridgeman et al.
POLYHEDRON (2002)
Structure and properties of the dendron-encapsulated polyoxometalate (C52H60NO12)12[(Mn(H2O))3(SbW9O33)2], a first generation dendrizyme
D Volkmer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Structural versatility in polyoxometalates and in some linear trimetallic complexes:: An electronic interpretation
MM Rohmer et al.
JOURNAL OF CLUSTER SCIENCE (2002)
Quantitative modelization of hydrogen-bonding in polyoxometalate chemistry
M Henry
JOURNAL OF CLUSTER SCIENCE (2002)
Location of protons in anhydrous Keggin heteropolyacids H3PMo12O40 and H3PW12O40 by 1H{31P}/31P{1H} REDOR NMR and DFT quantum chemical calculations
S Ganapathy et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Electronic structure of the α and β isomers of [Mo8O26]4-
AJ Bridgeman et al.
INORGANIC CHEMISTRY (2002)
Structure and bonding in [W10O32]n- isopolyanions
AJ Bridgeman et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Density functional study of the vibrational frequencies of Lindqvist polyanions
AJ Bridgeman et al.
CHEMICAL PHYSICS (2002)
Structure and bonding in [M6O19]n- isopolyanions
AJ Bridgeman et al.
INORGANIC CHEMISTRY (2002)
Electrochemical response of α-H4SiW12O40 on Ag and Au electrodes
L Lee et al.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY (2002)
Toward a qualitative understanding of the initial electron transfer site in Dawson-type heteropolyanions
B Keita et al.
NEW JOURNAL OF CHEMISTRY (2002)
Electronic structure of Mo and W [M7O24](6-) isopolyanions
AJ Bridgeman et al.
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (2002)
Electronic structures, (d-p)pi conjugation effects, and spectroscopic properties of polyoxometalates: M6O192- (M = Cr, Mo, W)
J Li
JOURNAL OF CLUSTER SCIENCE (2002)
Giant metal-oxide-based spheres and their topology:: from pentagonal building blocks to keplerates and unusual spin systems
A Müller et al.
COORDINATION CHEMISTRY REVIEWS (2001)
Electronic properties of polyoxometalates:: A DFT study of α/β-[XM12O40]n- relative stability (M = W, Mo and X a main group element)
X López et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Adsorption configuration and local ordering of silicotungstate anions on Ag(100) electrode surfaces
L Lee et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Electronic and magnetic properties of α-keggin anions:: A DFT study of [XM12O40]n- (M = W, Mo; X = AlIII, SiIV,PV, FeIII, CoII, CoIII) and [SiM11VO40]m- (M = Mo and W)
JM Maestre et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Effect of iron counter-ions on the reducibility of the Keggin type molybdophosphoric heteropolyacid Part II. A theoretical study
SA Borshch et al.
APPLIED CATALYSIS A-GENERAL (2000)
Ammonia adsorption on Keggin-type heteropolyacid catalysts explored by density functional quantum chemistry calculations
BB Bardin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
Interactions between solvent molecules and the reduced or unreduced forms of silico-molybdic acid studied by ESR and NMR spectroscopies and molecular modelling
B Török et al.
INORGANICA CHIMICA ACTA (2000)
Effective core potential DFT calculations of nuclear shielding as a tool for the prediction and assignment of the tungsten chemical shift in mono- and polynuclear complexes
A Bagno et al.
CHEMICAL PHYSICS LETTERS (2000)
Share Paper
