| Molecular sieve catalysts for the regioselective and shape- selective oxyfunctionalization of alkanes in air | Accounts of Chemical Research | 2001 | 268 |
| The role of synchrotron-based studies in the elucidation and design of active sites in titanium-silica epoxidation catalysts | Accounts of Chemical Research | 2001 | 183 |
| Solvent-Free, Low-Temperature, Selective Hydrogenation of Polyenes using a Bimetallic Nanoparticle Ru–Sn Catalyst | Angewandte Chemie - International Edition | 2001 | 176 |
| Catalytically active centres in porous oxides: designand performance of highly selective new catalysts | Chemical Communications | 2001 | 156 |
| Single-Step, Highly Active, and Highly Selective Nanoparticle Catalysts for the Hydrogenation of Key Organic Compounds We gratefully acknowledge the support (by a rolling grant to J.M.T. and an award to B.F.G.J.) of EPSRC (UK), of the Cambridge Overseas Trust (Schlumberger research), and ICI (for T.K.), and the award of a research fellowship (for S.H.) from Newnham College, Cambridge. | Angewandte Chemie - International Edition | 2001 | 140 |
| Order in the Heisenberg pyrochlore: The magnetic structure of Gd2Ti2O7 | Physical Review B | 2001 | 117 |
| Two Modifications of Layered Cobaltous Terephthalate: Crystal Structures and Magnetic Properties | Journal of Solid State Chemistry | 2001 | 113 |
| Structural elucidation of microporous and mesoporous catalysts and molecular sieves by high-resolution electron microscopy | Accounts of Chemical Research | 2001 | 107 |
| Bifunctional molecular sieve catalysts for the benign ammoximation of cyclohexanone: one-step, solvent-free production of oxime and epsilon-caprolactam with a mixture of air and ammonia | Journal of the American Chemical Society | 2001 | 101 |
| Crystal chemistry and physical properties of superconducting and semiconducting charge transfer salts of the type (BEDT-TTF)(4)[A(I)M(III)(C2O4)3]*PhCN (A(I) = H30,NH4,K; M(III) = Cr, Fe, Co, Al; BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene | Inorganic Chemistry | 2001 | 95 |
| From CO(2) to Methanol by Hybrid QM/MM Embedding This work was supported by EU Esprit IV project 25047. S.A.F. is grateful to ICI and Synetix for funding. K. Waugh, L. Whitmore, S. Cristol, and P. Sushko are thanked for their helpful insights. QM/MM=quantum mechanics/molecular mechanics. | Angewandte Chemie - International Edition | 2001 | 88 |
| New superconducting charge-transfer salts (BEDT-TTF)4[A·M(C2O4)3]·C6H5NO2 (A = H3O or NH4, M = Cr or Fe, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene) | Journal of Materials Chemistry | 2001 | 87 |
| The Three-Dimensional Structure of the Titanium-Centered Active Site during Steady-State Catalytic Epoxidation of Alkenes | Journal of Physical Chemistry B | 2001 | 74 |
| Structure of the (104) surfaces of calcite, dolomite and magnesite under wet and dry conditions | Physical Chemistry Chemical Physics | 2001 | 73 |
| Solvent-free routes to clean technology | Chemistry - A European Journal | 2001 | 66 |
| Nanopore and nanoparticle catalysts | Chemical Record | 2001 | 61 |
| True Structure of Trigonal Bipyramidal SiO4F- Species in Siliceous Zeolites | Chemistry of Materials | 2001 | 50 |
| Ionicity and Framework Stability of Crystalline Aluminophosphates | Journal of Physical Chemistry B | 2001 | 49 |
| Heterogeneous Dinuclear Rhodium(II) Hydroformylation Catalysts-Performance Evaluation and Silsesquioxane-Based Chemical Modeling | Angewandte Chemie - International Edition | 2001 | 47 |
| From CO2 to Methanol by Hybrid QM/MM Embedding | Angewandte Chemie | 2001 | 46 |
| Mechanisms of Reduction of MoO3 to MoO2 Reconciled? | Journal of Physical Chemistry B | 2001 | 46 |
| New insights into the structure of supported bimetallic nanocluster catalysts prepared from carbonylated precursors: a combined density functional theory and EXAFS study | Chemical Physics Letters | 2001 | 45 |
| beta' '-(BEDT-TTF)4[(H3O)Cr(C2O4)3]CH2Cl2: effect of included solvent on the structure and properties of a conducting molecular charge-transfer salt | Inorganic Chemistry | 2001 | 40 |
| Development of a New Interatomic Potential for the Modeling of Ligand Field Effects | Journal of Physical Chemistry B | 2001 | 34 |
| Molecular Dynamics Simulation of Liquid H2O, MeOH, EtOH, Si(OMe)4, and Si(OEt)4, as a Function of Temperature and Pressure | Journal of Physical Chemistry A | 2001 | 30 |
