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Design, Identification, and Evolution of a Surface Ruthenium(II/III) Single Site for CO Activation.
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- Angewandte Chemie, 2021, v. 133, n. 3, p. 1232, doi. 10.1002/ange.202008370
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- Article
Probing the Role of a Non-Thermal Plasma (NTP) in the Hybrid NTP Catalytic Oxidation of Methane.
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- Angewandte Chemie, 2017, v. 129, n. 32, p. 9479, doi. 10.1002/ange.201703550
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- Article
Vorhersage von Geschwindigkeitskonstanten katalytischer Reaktionen mit chemischer Genauigkeit.
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- Angewandte Chemie, 2016, v. 128, n. 32, p. 9278, doi. 10.1002/ange.201603930
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- Article
Probing the Role of a Non-Thermal Plasma (NTP) in the Hybrid NTP Catalytic Oxidation of Methane.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 32, p. 9351, doi. 10.1002/anie.201703550
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- Article
Prediction of Rate Constants for Catalytic Reactions with Chemical Accuracy.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 32, p. 9132, doi. 10.1002/anie.201603930
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- Article
Methanol dynamics in H-ZSM-5 with Si/Al ratio of 25: a quasi-elastic neutron scattering (QENS) study.
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- Topics in Catalysis, 2021, v. 64, n. 9-12, p. 699, doi. 10.1007/s11244-021-01450-z
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- Article
Mechanistic Pathways for the Dehydrogenation of Alkanes on Pt(111) and Ru(0001) Surfaces.
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- ChemCatChem, 2024, v. 16, n. 11, p. 1, doi. 10.1002/cctc.202301386
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Carbidisation of Pd Nanoparticles by Ethene Decomposition with Methane Production.
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- ChemCatChem, 2019, v. 11, n. 17, p. 4334, doi. 10.1002/cctc.201900795
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- Article
A theoretical study of the energetics and IR frequencies of hydroxyl defects in forsterite.
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- Journal of Geophysical Research. Solid Earth, 2003, v. 108, n. B6, p. n/a, doi. 10.1029/2002JB002126
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The sphere-in-contact model of carbon materials.
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- Journal of Molecular Modeling, 2016, v. 22, n. 1, p. 40, doi. 10.1007/s00894-015-2895-7
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- Article
Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons.
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- ChemPhysChem, 2012, v. 13, n. 15, p. 3453, doi. 10.1002/cphc.201200517
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Cover Picture: Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons (ChemPhysChem 15/2012).
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- ChemPhysChem, 2012, v. 13, n. 15, p. 3409, doi. 10.1002/cphc.201290069
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- Article
Photostimulated Reduction Processes in a Titania Hybrid Metal-Organic Framework.
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- ChemPhysChem, 2010, v. 11, n. 11, p. 2341, doi. 10.1002/cphc.201000306
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- Article
Investigation of MoO x /Al 2 O 3 under Cyclic Operation for Oxidative and Non-Oxidative Dehydrogenation of Propane.
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- Catalysts (2073-4344), 2020, v. 10, n. 12, p. 1370, doi. 10.3390/catal10121370
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- Article
Bandgap Engineering of Organic Semiconductors for Highly Efficient Photocatalytic Water Splitting.
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- Advanced Energy Materials, 2018, v. 8, n. 24, p. 1, doi. 10.1002/aenm.201801084
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- Article
Computer Simulation Studies of Strontium Titanate.
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- Journal of the American Ceramic Society, 1995, v. 78, n. 2, p. 421, doi. 10.1111/j.1151-2916.1995.tb08818.x
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- Article
Modeling Localized Defects in Ionic Materials Using Mott-Littleton and Embedded Quantum Cluster Methodology.
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- Journal of the American Ceramic Society, 1990, v. 73, n. 11, p. 3251, doi. 10.1111/j.1151-2916.1990.tb06446.x
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- Article
Calculations of Solution Energies of Fission Products in Uranium Dioxide.
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- Journal of the American Ceramic Society, 1989, v. 72, n. 10, p. 1856, doi. 10.1111/j.1151-2916.1989.tb05991.x
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- Article
Atomistic Simulation of Defect Structures and Ion Transport in α-Fe<sub>2</sub>O<sub>3</sub> and α-Cr<sub>2</sub>O<sub>3</sub>.
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- Journal of the American Ceramic Society, 1988, v. 71, n. 1, p. 42, doi. 10.1111/j.1151-2916.1988.tb05758.x
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- Article
Synthesis of a Small-Pore Microporous Material Using a Computationally Designed Template.
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- Angewandte Chemie International Edition, 1997, v. 36, n. 23, p. 2675, doi. 10.1002/anie.199726751
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- Article
Designing a Solid Catalyst for the Selective Low-Temperature Oxidation of Cyclohexane to Cyclohexanone.
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- Angewandte Chemie International Edition, 1997, v. 36, n. 15, p. 1639, doi. 10.1002/anie.199716391
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- Article
Structure Prediction of Inorganic Nanoparticles with Predefined Architecture using a Genetic AlgorithmDedicated to Professor Martin Jansen on the Occasion of his 60th Birthday.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2004, v. 630, n. 13/14, p. 2343, doi. 10.1002/zaac.200400338
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- Article
The Extremely High Specificity of N-Methyldicyclohexylamine for the Production of the Large-Pore Microporous AFI Material.
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- Catalysis Letters, 2003, v. 88, n. 3/4, p. 163, doi. 10.1023/A:1024053504331
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- Article
Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides.
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- Angewandte Chemie, 2023, v. 135, n. 40, p. 1, doi. 10.1002/ange.202308411
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- Article
Cd/Pt Precursor Solution for Solar H<sub>2</sub> Production and in situ Photochemical Synthesis of Pt Single‐atom Decorated CdS Nanoparticles.
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- Angewandte Chemie, 2023, v. 135, n. 20, p. 1, doi. 10.1002/ange.202301239
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- Article
Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 40, p. 1, doi. 10.1002/anie.202308411
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- Publication type:
- Article
Cd/Pt Precursor Solution for Solar H<sub>2</sub> Production and in situ Photochemical Synthesis of Pt Single‐atom Decorated CdS Nanoparticles.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 20, p. 1, doi. 10.1002/anie.202301239
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- Publication type:
- Article
Design, Identification, and Evolution of a Surface Ruthenium(II/III) Single Site for CO Activation.
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- Angewandte Chemie International Edition, 2021, v. 60, n. 3, p. 1212, doi. 10.1002/anie.202008370
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- Article
A Multilateral Mechanistic Study into Asymmetric Transfer Hydrogenation in Water.
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- Chemistry - A European Journal, 2008, v. 14, n. 25, p. 7699, doi. 10.1002/chem.200800559
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- Article
Fine Structures of Zeolite-Linde-L (LTL): Surface Structures, Growth Unit and Defects.
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- Chemistry - A European Journal, 2004, v. 10, n. 20, p. 5031, doi. 10.1002/chem.200306064
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- Article
Formation of Heteroatom Active Sites in Zeolites by Hydrolysis and InversionFor the useful discussions, we thank Dr. J. M. Garcés, Dr. A. Kuperman, Dr. P. E. Sinclair, Dr. C. M. Barker, Prof. R. J. Davis, Dr. G. Berlier, Dr. A. M. Beale, Prof. G. Sankar, Dr. N. R. Shiju, and Prof. Sir J. M. Thomas. J.T. gratefully acknowledges EPSRC for the financial support and HPCx Materials Chemistry Consortium for the computational resources from grant GR/S13422.
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- Angewandte Chemie, 2006, v. 118, n. 10, p. 1663, doi. 10.1002/ange.200503006
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- Article
Oligomerization and Cyclization Processes in the Nucleation of Microporous SilicasCONACyT and UCL are acknowledged for funding of this work.
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- Angewandte Chemie, 2005, v. 117, n. 20, p. 3142, doi. 10.1002/ange.200462524
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- Article
Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors.
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- Physica Status Solidi. A: Applications & Materials Science, 2017, v. 214, n. 4, p. n/a, doi. 10.1002/pssa.201600440
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- Article
Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM.
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- Physica Status Solidi. A: Applications & Materials Science, 2017, v. 214, n. 4, p. n/a, doi. 10.1002/pssa.201600445
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- Article
In situ study of the formation of CdS nanoparticles by small-angle X-ray scattering.
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- Journal of Applied Crystallography, 2003, v. 36, n. 3-1, p. 718, doi. 10.1107/S0021889803000219
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- Article
Band alignment of rutile and anatase TiO<sub>2</sub>.
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- Nature Materials, 2013, v. 12, n. 9, p. 798, doi. 10.1038/nmat3697
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- Article
Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces.
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- Advanced Materials, 2014, v. 26, n. 42, p. 7252, doi. 10.1002/adma.201401858
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- Article
On the Nature and Location of Organic Template Molecules and Their Effect on the Stability and Redox Properties of Microporous CoAlPO-34 Catalyst.
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- Topics in Catalysis, 2003, v. 24, n. 1-4, p. 173, doi. 10.1023/B:TOCA.0000003088.21277.f5
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- Publication type:
- Article
Formation of Heteroatom Active Sites in Zeolites by Hydrolysis and InversionFor the useful discussions, we thank Dr. J. M. Garcés, Dr. A. Kuperman, Dr. P. E. Sinclair, Dr. C. M. Barker, Prof. R. J. Davis, Dr. G. Berlier, Dr. A. M. Beale, Prof. G. Sankar, Dr. N. R. Shiju, and Prof. Sir J. M. Thomas. J.T. gratefully acknowledges EPSRC for the financial support and HPCx Materials Chemistry Consortium for the computational resources from grant GR/S13422.
- Published in:
- Angewandte Chemie International Edition, 2006, v. 45, n. 10, p. 1633, doi. 10.1002/anie.200503006
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- Publication type:
- Article
Oligomerization and Cyclization Processes in the Nucleation of Microporous SilicasCONACyT and UCL are acknowledged for funding of this work.
- Published in:
- Angewandte Chemie International Edition, 2005, v. 44, n. 20, p. 3082, doi. 10.1002/anie.200462524
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- Publication type:
- Article
Lewis Acidity in Transition-Metal-Doped Microporous Aluminophosphates.
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- Angewandte Chemie International Edition, 2002, v. 41, n. 24, p. 4677, doi. 10.1002/anie.200290013
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- Article
Surface Structure and Crystal Growth of Zeolite Beta C.
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- Angewandte Chemie International Edition, 2002, v. 41, n. 7, p. 1235, doi. 10.1002/1521-3773(20020402)41:7<1235::AID-ANIE1235>3.0.CO;2-R
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- Article
From CO.
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- Angewandte Chemie International Edition, 2001, v. 40, n. 23, p. 4437, doi. 10.1002/1521-3773(20011203)40:23<4437::AID-ANIE4437>3.0.CO;2-L
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- Article
Zinc oxide: A case study in contemporary computational solid state chemistry.
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- Journal of Computational Chemistry, 2008, v. 29, n. 13, p. 2234, doi. 10.1002/jcc.21051
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- Article
Computational investigation of CO adsorbed on Au<sub>x</sub>, Ag<sub>x</sub> and (AuAg)<sub>x</sub> nanoclusters (x = 1-5, 147) and monometallic Au and Ag low-energy surfaces.
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- European Physical Journal B: Condensed Matter, 2018, v. 91, n. 2, p. 1, doi. 10.1140/epjb/e2017-80280-7
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- Article
Effect of Si(IV) substitution on the stability of microporous ZnAPSO-44 solid acid catalysts: a combined XAS/XRD study.
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- Journal of Synchrotron Radiation, 2001, v. 8, n. 2, p. 622, doi. 10.1107/S0909049501000127
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- Article
The architecture of Mg(II) centres in MAPO-36 solid acid catalysts.
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- Journal of Synchrotron Radiation, 2001, v. 8, n. 2, p. 625, doi. 10.1107/S0909049501000139
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- Article
A new high-flux chemical and materials crystallography station at the SRS Daresbury. 1. Design, construction and test results. Corrigendum.
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- Journal of Synchrotron Radiation, 2000, v. 7, n. 1, p. 40, doi. 10.1107/S090904959901420X
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- Article
Iridicycle-Catalysed Imine Reduction: An Experimental and Computational Study of the Mechanism.
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- Chemistry - A European Journal, 2015, v. 21, n. 46, p. 16564, doi. 10.1002/chem.201501074
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- Article
Catalytic Reaction Mechanism of Mn-Doped Nanoporous Aluminophosphates for the Aerobic Oxidation of Hydrocarbons.
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- Chemistry - A European Journal, 2010, v. 16, n. 46, p. 13638, doi. 10.1002/chem.201001876
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- Article