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Computational and EXAFS Study of the Nature of the Ti(IV) Active Sites in Mesoporous Titanosilicate Catalysts
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1006/jssc.1993.1060openalex-snapshot
Titanium in MFI-Type Zeolites: A Characterization by XANES, EXAFS, IR, and 74, 49Ti and 17O MAS NMR Spectroscopy and H2O Adsorption
inferredcites →https://doi.org/10.1007/bf00764090openalex-snapshot
Selective oxidation of cyclohexane over TS-2, a titanium silicate molecular sieve
inferredcites →https://doi.org/10.1007/bf00764358openalex-snapshot
Novel titanium sites in silicalites
inferredcites →https://doi.org/10.1007/bf00764360openalex-snapshot
DRS UV-Vis and EPR spectroscopy of hydroperoxo and superoxo complexes in titanium silicalite
inferredcites →https://doi.org/10.1007/bf00769485openalex-snapshot
Re-investigation of titanium silicalite by X-ray absorption spectroscopy: Are the novel titanium sites real?
inferredcites →https://doi.org/10.1007/bf00810371openalex-snapshot
Structural properties of titanium sites in Ti-ZSM5
inferredcites →https://doi.org/10.1016/0009-2614(95)00393-iopenalex-snapshot
The vibrational frequency of the donor OH group in the H-bonded dimers of water, methanol and silanol. Ab initio calculations including anharmonicities
inferredcites →https://doi.org/10.1016/0021-9517(91)90002-lopenalex-snapshot
Catalytic hydrogenation of 1,3-butadiene on Pd particles evaporated on carbonaceous supports: Particle size effect
inferredcites →https://doi.org/10.1016/0021-9517(91)90019-zopenalex-snapshot
Synthesis of propylene oxide from propylene and hydrogen peroxide catalyzed by titanium silicalite
inferredcites →https://doi.org/10.1016/0021-9517(91)90086-jopenalex-snapshot
Catalytic properties of crystalline titanium silicalites I. Synthesis and characterization of titanium-rich zeolites with MFI structure
inferredcites →https://doi.org/10.1016/0144-2449(93)90151-ropenalex-snapshot
Characterization of titania silicalites
inferredcites →https://doi.org/10.1016/0304-5102(80)85010-3openalex-snapshot
Synthetic and mechanistic aspects of metal-catalysed epoxidations with hydroperoxides
inferredcites →https://doi.org/10.1016/0304-5102(92)80241-8openalex-snapshot
Titanium sites in titanium silicalites: An XPS, XANES and EXAFS study
inferredcites →https://doi.org/10.1016/0927-6513(94)00009-3openalex-snapshot
Synthesis and physicochemical properties of zeolites containing framework titanium
inferredcites →https://doi.org/10.1016/s0166-9834(00)82273-3openalex-snapshot
Titanium silicalite-2: Synthesis, characterization and catalytic properties
inferredcites →https://doi.org/10.1016/s0167-2991(08)60677-1openalex-snapshot
Spectroscopic Characterization of Silicalite and Titanium-Silicalite
inferredcites →https://doi.org/10.1016/s0167-2991(08)63774-xopenalex-snapshot
Ti Substitution in MFI Type Zeolites: a Quantum Mechanical Study
inferredcites →https://doi.org/10.1016/s0360-0564(08)60042-5openalex-snapshot
Microporous Crystalline Titanium Silicates
inferredcites →https://doi.org/10.1021/cr00093a001openalex-snapshot
Transition-metal-catalyzed epoxidations
inferredcites →https://doi.org/10.1021/j100008a021openalex-snapshot
Structure of Iron-Substituted ZSM-5
inferredcites →https://doi.org/10.1021/j100066a036openalex-snapshot
XAFS Study of Ti-Silicalite: Structure of Framework Ti(IV) in the Presence and Absence of Reactive Molecules (H2O, NH3) and Comparison with Ultraviolet-Visible and IR Results
inferredcites →https://doi.org/10.1021/ja00078a020openalex-snapshot
The state of Ti in titanoaluminosilicates isomorphous with zeolite .beta.
inferredcites →https://doi.org/10.1021/jp952205dopenalex-snapshot
Determination of the Structure of Distorted TiO6 Units in the Titanosilicate ETS-10 by a Combination of X-ray Absorption Spectroscopy and Computer Modeling
inferredcites →https://doi.org/10.1038/368289a0openalex-snapshot
The chemistry of crystalline sponges
inferredcites →https://doi.org/10.1038/368321a0openalex-snapshot
Titanium-containing mesoporous molecular sieves for catalytic oxidation of aromatic compounds
inferredcites →https://doi.org/10.1038/378159a0openalex-snapshot
Heterogeneous catalysts obtained by grafting metallocene complexes onto mesoporous silica
inferredcites →https://doi.org/10.1038/378162a0openalex-snapshot
A new mechanism for calcium loss in forest-floor soils
inferredcites →https://doi.org/10.1038/381401a0openalex-snapshot
Synthesis and structure of a layered titanosilicate catalyst with five-coordinate titanium
inferredcites →https://doi.org/10.1039/c39910000678openalex-snapshot
A XANES and EXAFS investigation of titanium silicalite
inferredcites →https://doi.org/10.1039/c39940002279openalex-snapshot
Probing active sites in solid catalysts for the liquid-phase epoxidation of alkenes
inferredcites →https://doi.org/10.1039/ft9938904123openalex-snapshot
Fourier-transform infrared and Raman spectra of pure and Al-, B-, Ti- and Fe-substituted silicalites: stretching-mode region
inferredcites →https://doi.org/10.1063/1.462165openalex-snapshot
Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies
inferredcites →https://doi.org/10.1080/00150198508017914openalex-snapshot
X-ray structure refinement and pyroelectric investigation of fresnoite, Ba2TiSi2O8
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physrevb.33.8822openalex-snapshot
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
inferredcites →https://doi.org/10.1107/s0909049595006789openalex-snapshot
XFIT – an Interactive EXAFSAnalysis Program
inferredcites →https://doi.org/10.1126/science.265.5179.1675openalex-snapshot
Probing Solid Catalysts Under Operating Conditions
inferredcites →https://doi.org/10.1139/v92-079openalex-snapshot
Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4676494openalex-extracted
The Promoting Role of Framework Ti4+ in Enhancing the Hydrodeoxygenation Performance of Palmitic Acid Over a Mesoporous Ts-1 Supported Ni Catalyst
inferred← citeshttps://doi.org/10.1002/(sici)1099-0682(200003)2000:3<551::aid-ejic551>3.0.co;2-eopenalex-snapshot
Structural Studies and Catalytic Activity of MCM-41 and MCM-48 Modified With the Titanocenophane [SiMe2(η5-C5H4)2]TiCl2
inferred← citeshttps://doi.org/10.1002/(sici)1521-3757(19991216)111:24<3800::aid-ange3800>3.0.co;2-1openalex-snapshot
Design, Synthese und In-situ-Charakterisierung neuer Feststoffkatalysatoren
inferred← citeshttps://doi.org/10.1002/1521-3757(20010216)113:4<762::aid-ange7620>3.0.co;2-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/1521-3773(20010216)40:4<740::aid-anie7400>3.0.co;2-copenalex-snapshot
A New, Efficient Route to Titanium-Silsesquioxane Epoxidation Catalysts Developed by Using High-Speed Experimentation Techniques
inferred← citeshttps://doi.org/10.1002/9783527610044.hetcat0089openalex-snapshot
Modeling of Structures and Reactivity of Solid Catalysts
inferred← citeshttps://doi.org/10.1002/9783527627097.ch14openalex-snapshot
Molecular Insight for Silica‐Supported Organometallic Chemistry through Transition Metal Silsesquioxanes
inferred← citeshttps://doi.org/10.1002/adma.202003264openalex-snapshot
Zeolite (In)Stability under Aqueous or Steaming Conditions
inferred← citeshttps://doi.org/10.1002/ange.200351452openalex-snapshot
The Usefulness of Time‐Dependent Density Functional Theory to Describe the Electronic Spectra of Ti‐Containing Catalysts
inferred← citeshttps://doi.org/10.1002/ange.200462473openalex-snapshot
Heterogene Single‐Site‐Katalysatoren
inferred← citeshttps://doi.org/10.1002/ange.200503006openalex-snapshot
Formation of Heteroatom Active Sites in Zeolites by Hydrolysis and Inversion
inferred← citeshttps://doi.org/10.1002/anie.200351452openalex-snapshot
The Usefulness of Time‐Dependent Density Functional Theory to Describe the Electronic Spectra of Ti‐Containing Catalysts
inferred← citeshttps://doi.org/10.1002/anie.200462473openalex-snapshot
Single‐Site Heterogeneous Catalysts
inferred← citeshttps://doi.org/10.1002/anie.200503006openalex-snapshot
Formation of Heteroatom Active Sites in Zeolites by Hydrolysis and Inversion
inferred← citeshttps://doi.org/10.1002/chem.200700505openalex-snapshot
A Mononuclear Cyclopentadiene–Iron Complex Grafted in the Supercages of HY Zeolite: Synthesis, Structure, and Reactivity
inferred← citeshttps://doi.org/10.1002/chem.201002241openalex-snapshot
Density Functional Calculations on the Distribution, Acidity, and Catalysis of TiIV and TiIII Ions in MCM‐22 Zeolite
inferred← citeshttps://doi.org/10.1002/jcc.24509openalex-snapshot
The role of dispersive forces determining the energetics of adsorption in Ti zeolites
inferred← citeshttps://doi.org/10.1002/jccs.200600181openalex-snapshot
One‐Pot Synthesis and Photocatalysis of Encapsulated TiO2 in Mesoporous SiO2
inferred← citeshttps://doi.org/10.1002/smtd.201700286openalex-snapshot
Strategies for Stabilizing Atomically Dispersed Metal Catalysts
inferred← citeshttps://doi.org/10.1006/jcat.1998.2205openalex-snapshot
On the Structure of the Active Site of Ti-Silicalite in Reactions with Hydrogen Peroxide: A Vibrational and Computational Study
inferred← citeshttps://doi.org/10.1007/3-540-69750-0_6openalex-snapshot
Preparation of Oxide, Sulfide and Other Chalcogenide Clusters in Molecular Sieves
inferred← citeshttps://doi.org/10.1007/978-94-011-4329-5_1openalex-snapshot
Computer Modelling of Catalysts and Catalysis
inferred← citeshttps://doi.org/10.1007/978-94-017-0982-8_8openalex-snapshot
An Introduction to Molecular Heterogeneous Catalysis
inferred← citeshttps://doi.org/10.1007/bf03185366openalex-snapshot
Spectroscopic tools for probing the isolated titanium centres in MCM41 mesoporous catalysts
inferred← citeshttps://doi.org/10.1007/s11144-018-1350-zopenalex-snapshot
Thiophene oxidation with H2O2 over defect and perfect titanium silicalite-1: a computational study
inferred← citeshttps://doi.org/10.1007/s11224-007-9158-xopenalex-snapshot
Configuration of MFI-type zeolite interacting with the probe molecule P(CH3)3 – a theoretical study
inferred← citeshttps://doi.org/10.1007/s11244-006-0091-9openalex-snapshot
TD-DFT analysis of the electronic spectra of Ti-containing catalysts
inferred← citeshttps://doi.org/10.1016/b0-08-045047-4/00061-3openalex-snapshot
Complexes of Titanium in Oxidation State iv
inferred← citeshttps://doi.org/10.1016/b978-0-444-53188-9.00001-8openalex-snapshot
Rates, Kinetics, and Mechanisms of Epoxidation
inferred← citeshttps://doi.org/10.1016/b978-0-444-53189-6.00008-1openalex-snapshot
Computational Modelling of Nanoporous Materials
inferred← citeshttps://doi.org/10.1016/j.apcata.2007.11.037openalex-snapshot
Acidity and defect sites in titanium silicalite catalyst
inferred← citeshttps://doi.org/10.1016/j.apcata.2024.119833openalex-snapshot
The promoting role of framework Ti(IV) in enhancing the hydrodeoxygenation performance of palmitic acid over a mesoporous TS-1 supported Ni catalyst
inferred← citeshttps://doi.org/10.1016/j.ccr.2009.09.031openalex-snapshot
On silsesquioxanes’ accuracy as molecular models for silica-grafted complexes in heterogeneous catalysis
inferred← citeshttps://doi.org/10.1016/j.ccr.2014.05.013openalex-snapshot
Structure of aluminum, iron, and other heteroatoms in zeolites by X-ray absorption spectroscopy
inferred← citeshttps://doi.org/10.1016/j.jcat.2004.03.028openalex-snapshot
Formation of hydrogen peroxide from H2 and O2 over a neutral gold trimer: a DFT study
inferred← citeshttps://doi.org/10.1016/j.jcat.2008.04.004openalex-snapshot
Mechanistic study of propane selective oxidation with H2 and O2 on Au/TS-1
inferred← citeshttps://doi.org/10.1016/j.jcat.2019.09.045openalex-snapshot
Insights into the efficiency of hydrogen peroxide utilization over titanosilicate/H2O2 systems
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2010.12.014openalex-snapshot
Heterogenization of [Ti(η5-C5HMe4)Cl3] on to MCM-41 and organomodified MCM-41 to form epoxidation catalyst
inferred← citeshttps://doi.org/10.1016/j.jssc.2014.10.011openalex-snapshot
Ligand-tailored single-site silica supported titanium catalysts: Synthesis, characterization and towards cyanosilylation reaction
inferred← citeshttps://doi.org/10.1016/j.mcat.2017.08.011openalex-snapshot
Mechanistic investigation of propylene epoxidation with H2O2 over TS-1: Active site formation, intermediate identification, and oxygen transfer pathway
inferred← citeshttps://doi.org/10.1016/j.mcat.2023.113147openalex-snapshot
Effect of the bipodal Ti species on activity and selectivity of propylene epoxidation with H2O2 over TS-1: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.micromeso.2007.06.046openalex-snapshot
Fabrication and morphological control of three-dimensional cage type mesoporous titanosilicate with extremely high Ti content
inferred← citeshttps://doi.org/10.1016/j.micromeso.2014.04.037openalex-snapshot
Density functional theory investigations into the structure and spectroscopic properties of the Ti4+ species in Ti-MWW zeolite
inferred← citeshttps://doi.org/10.1016/j.micromeso.2016.09.028openalex-snapshot
Density functional theory investigations into the structures and acidity properties of Ti-doped SSZ-13 zeolite
inferred← citeshttps://doi.org/10.1016/j.micromeso.2020.110133openalex-snapshot
Theoretical investigation on the spectroscopic properties and catalytic activities of the Ti-Hydroperoxo intermediates in titanosilicate zeolites
inferred← citeshttps://doi.org/10.1016/j.molcata.2012.07.013openalex-snapshot
Lewis and Brönsted acidic sites in M4+-doped zeolites (M=Ti, Zr, Ge, Sn, Pb) as well as interactions with probe molecules: A DFT study
inferred← citeshttps://doi.org/10.1016/j.molstruc.2007.09.005openalex-snapshot
A joint experimental–theoretical study on trimethylphosphine adsorption on the Lewis acidic sites present in TS-1 zeolite
inferred← citeshttps://doi.org/10.1016/s0020-1693(03)00031-8openalex-snapshot
Synthesis and surface properties of Ti-containing mesoporous aluminophosphates. A comparison with Ti-grafted mesoporous silica Ti-MCM-41
inferred← citeshttps://doi.org/10.1016/s0022-328x(99)00744-5openalex-snapshot
The preparation, molecular structure and catalytic relevance of Ti(OSiPh3)4 and Ti(OGePh3)4
inferred← citeshttps://doi.org/10.1016/s0022-4596(03)00275-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s0167-2991(01)80150-6openalex-snapshot
Surface Properties of Mesoporous Ti-MCM-48 and their Modifications Produced by Silylation.
inferred← citeshttps://doi.org/10.1016/s0167-2991(02)80080-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s0167-2991(02)80308-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s0167-2991(05)80158-2openalex-snapshot
CD3CN and NH3 interaction with Ti(IV) catalytic centres grafted on mesoporous MCM-41
inferred← citeshttps://doi.org/10.1016/s0360-0564(04)48001-8openalex-snapshot
Active Sites and Reactive Intermediates in Titanium Silicate Molecular Sieves
inferred← citeshttps://doi.org/10.1016/s0920-5861(99)00029-2openalex-snapshot
Molecular models of catalytically active sites in zeolites. Quantum chemical approach
inferred← citeshttps://doi.org/10.1016/s0926-860x(02)00451-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s0927-7757(98)00371-9openalex-snapshot
Do titanyl groups exist in titanium silicates? An experimental study
inferred← citeshttps://doi.org/10.1016/s0928-4931(01)00247-8openalex-snapshot
Innovative nanoporous materials: metal-aluminophosphates
inferred← citeshttps://doi.org/10.1016/s1359-0286(98)80068-5openalex-snapshot
Derivatised mesoporous solids
inferred← citeshttps://doi.org/10.1016/s1381-1169(03)00330-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s1387-1811(01)00338-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s1387-1811(02)00561-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cm0111534openalex-snapshot
SOMC@PMS. Surface Organometallic Chemistry at Periodic Mesoporous Silica
inferred← citeshttps://doi.org/10.1021/cm801598kopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cm980510gopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cm9901663openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cm990451mopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cr2000898openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cr900295bopenalex-snapshot
Catalysis and Surface Organometallic Chemistry: A View from Theory and Simulations
inferred← citeshttps://doi.org/10.1021/cs200411dopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cs500704bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ie3023862openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ja0202208openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ja037741vopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ja0385484openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp004219bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp011329popenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp0124140openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp026106topenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp030834eopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp050056lopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp055851dopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp065544nopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp074088fopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp074512copenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp077501sopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp973288wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp981402kopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp9818176openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp9821679openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp982916mopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jp993585wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/la0262194openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/om0499299openalex-snapshot
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inferred← citeshttps://doi.org/10.1023/a:1014866005634openalex-snapshot
DFT cluster model of hydroperoxide activation intermediates in Ti-containing porous silicates
inferred← citeshttps://doi.org/10.1023/a:1020504115146openalex-snapshot
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inferred← citeshttps://doi.org/10.1023/a:1024074108874openalex-snapshot
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inferred← citeshttps://doi.org/10.1039/a703642fopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/a704567kopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/a808225aopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/a904269eopenalex-snapshot
A theoretical study of molecular titanium oxide clusters: structure, bonding, vibrations and stability
inferred← citeshttps://doi.org/10.1039/a905887gopenalex-snapshot
Synthesis and characterisation of titanium silasesquioxane complexes: soluble models for the active site in titanium silicate epoxidation catalysts †
inferred← citeshttps://doi.org/10.1039/a908799kopenalex-snapshot
Synthesis, characterization and photocatalytic properties of titania-modified mesoporous silicate MCM-41
inferred← citeshttps://doi.org/10.1039/a909617eopenalex-snapshot
The effect of hydration on structure and location of Ti-sites in Ti-silicalite catalysts. A computational study
inferred← citeshttps://doi.org/10.1039/b005780kopenalex-snapshot
The architecture of catalytically active centers in titanosilicate (TS-1) and related selective-oxidation catalysts
inferred← citeshttps://doi.org/10.1039/b104735nopenalex-snapshot
On the structure and coordination of the oxygen-donating species in Ti↑MCM-41/TBHP oxidation catalysts: a density functional theory and EXAFS study
inferred← citeshttps://doi.org/10.1039/b207231aopenalex-snapshot
NH 3 adsorption on MCM-41 and Ti-grafted MCM-41. FTIR, DR UV–Vis–NIR and photoluminescence studies
inferred← citeshttps://doi.org/10.1039/b300809fopenalex-snapshot
Epoxidation with Ti(OSiMe 3 ) 4 : a homogeneous model mimicking titania–silica mixed oxides?
inferred← citeshttps://doi.org/10.1039/b601089jopenalex-snapshot
QM/MM modelling of the TS-1 catalyst using HPCx
inferred← citeshttps://doi.org/10.1039/b706637fopenalex-snapshot
Reactivity of Ti(iv) species hosted in TS-1 towards H2O2–H2O solutions investigated by ab initio cluster and periodic approaches combined with experimental XANES and EXAFS data: a review and new highlights
inferred← citeshttps://doi.org/10.1039/b902591jopenalex-snapshot
Combined experimental and computational modelling studies of the solubility of nickel in strontium titanate
inferred← citeshttps://doi.org/10.1039/c1cp22897hopenalex-snapshot
NH3 and O 2 interaction with tetrahedral Ti 3+ ions isomorphously substituted in the framework of TiAlPO-5. A combined pulse EPR, pulse ENDOR, UV-Vis and FT-IR study
inferred← citeshttps://doi.org/10.1039/c7cy00965hopenalex-snapshot
Theoretical insights into the nature of synergistic enhancement in bimetallic CoTiAlPO-5 catalysts for ammonia activation
inferred← citeshttps://doi.org/10.1039/ic094499openalex-snapshot
Chapter 26. Mechanisms and kinetics in the solid state: the application of X-ray absorption spectroscopy
inferred← citeshttps://doi.org/10.1063/1.1481378openalex-snapshot
Reactivity of Ti(IV) sites in Ti-zeolites: An embedded cluster approach
inferred← citeshttps://doi.org/10.1063/1.1571516openalex-snapshot
Ti-chabazite as a model system of Ti(IV) in Ti-zeolites: A periodic approach
inferred← citeshttps://doi.org/10.1063/1.4998296openalex-snapshot
Periodic modeling of zeolite Ti-LTA
inferred← citeshttps://doi.org/10.1080/01614940.2020.1796190openalex-snapshot
Advantages and limitations of catalytic oxidation with hydrogen peroxide: from bulk chemicals to lab scale process
inferred← citeshttps://doi.org/10.1098/rspa.2012.0113openalex-snapshot
Silsesquioxanes as molecular analogues of single-site heterogeneous catalysts
inferred← citeshttps://doi.org/10.1098/rsta.2004.1529openalex-snapshot
Computational approaches to the determination of active site structures and reaction mechanisms in heterogeneous catalysts
inferred← citeshttps://doi.org/10.1246/cl.1999.9openalex-snapshot
Synthesis of Ti-containing Porous Silica with High Photocatalytic Activity
inferred← citeshttps://doi.org/10.1380/ejssnt.2020.249openalex-snapshot
Thorough Search Analysis of Extended X-ray Absorption Fine Structure Data for Complex Molecules and Nanomaterials Applications
inferred← citeshttps://doi.org/10.3390/i2050167openalex-snapshot
The Role of Isolated Sites in Heterogeneous Catalysis: Characterization and Modeling
inferred← citeshttps://doi.org/10.70675/2bf42aadz44e4z458bz9f98zb1eb17a7e834openalex-snapshot
Supported Lanthanum Complexes : Grafting and Reactivity
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