- X-ray Absorption Fine Structure Characterization of the Local Structure of Fe in Sun Hee Choi, Benjamin R. Wood, Jason A. Ryder, and Alexis T. Bell*
- Communications Pt-Ag Catalyst System for Hydroarylations with
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- Density Functional Theory Investigations of the Direct Oxidation of Methane on an Fe-Exchanged Zeolite
- Analysis of Diffusion Limitation in the Alkylation of Benzene over H-ZSM-5 by Combining Quantum Chemical Calculations, Molecular Simulations, and a Continuum Approach
- A Study of Oxygen Vacancy Formation and Annihilation in Submonolayer Coverages of TiO2 Dispersed on MCM-48
- Methane Sulfonation A High-Yield Approach to the Sulfonation of
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- Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides and Weakly Basic Anilines
- Journal of Catalysis 221 (2004) 491499 www.elsevier.com/locate/jcat
- Theoretical Study of Solvent Effects on the Thermodynamics of Iron(III) [Tetrakis(pentafluorophenyl)]porphyrin Chloride Dissociation
- Extent of Reduction of Vanadium Oxides during Catalytic Oxidation of Alkanes Measured by in-Situ UV-Visible Spectroscopy
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- Viscosities of the Mixtures of 1-Ethyl-3-Methylimidazolium Chloride with Water, Acetonitrile and Glucose: A Molecular Dynamics Simulation and Experimental Study
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- Journal of Catalysis 226 (2004) 292300 www.elsevier.com/locate/jcat
- Direct Sulfonation of Methane to Methanesulfonic Acid by Sulfur Trioxide Catalyzed by Cerium(IV) Sulfate in the Presence
- Effects of Precursor Composition on the Local Structure of Cu Dispersed on Mesoporous Silica: A Detailed X-ray Absorption Spectroscopy Study
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- Journal of Catalysis 230 (2005) 1427 www.elsevier.com/locate/jcat
- A High-Yield, Liquid-Phase Approach for the Partial Oxidation of Methane to Methanol using SO3 as the Oxidant
- Journal of Catalysis 235 (2005) 150163 www.elsevier.com/locate/jcat
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- A Density Functional Theory Study of the Mechanism of Free Radical Generation in the System Vanadate/PCA/H2O2
- Journal of Catalysis 237 (2006) 111117 www.elsevier.com/locate/jcat
- Study of the Elementary Processes Involved in the Selective Oxidation of Methane over Nicholas Ohler and Alexis T. Bell*
- Influence of Solvent Composition on the Kinetics of Cyclooctene Epoxidation by Hydrogen Peroxide Catalyzed by Iron(III)
- Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based
- Density Functional Theory Analysis of the Reaction Pathway for Methane Oxidation to Acetic Acid Catalyzed by Pd2+
- An efficient self-consistent field method for large systems of weakly interacting components
- Quantum mechanical single molecule partition function from path integral Monte Carlo simulations
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- Journal of Catalysis 244 (2006) 4351 www.elsevier.com/locate/jcat
- Journal of Catalysis 244 (2006) 219229 www.elsevier.com/locate/jcat
- Stoichiometric and Catalytic Reactions Involving Si-H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide
- Journal of Catalysis 247 (2007) 119126 www.elsevier.com/locate/jcat
- Mechanistic Study of Iron(III) [Tetrakis(pentafluorophenyl)Porphyrin Triflate (F20TPP)Fe(OTf) Catalyzed Cyclooctene Epoxidation by Hydrogen
- Journal of Catalysis 248 (2007) 213225 www.elsevier.com/locate/jcat
- Microstructure and Solvent Distribution in Cross-Linked Diblock Copolymer Gels
- Journal of Molecular Catalysis A: Chemical 275 (2007) 5462 Mechanistic insights into iron porphyrin-catalyzed olefin epoxidation by
- Density Functional Theory Study of CO Adsorption on Cu(I)-ZSM-5 Xiaobo Zheng,* Yihua Zhang, and Alexis T. Bell*
- FEATURE ARTICLE Unravelling the Origin of Intermolecular Interactions Using Absolutely Localized Molecular
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- An Investigation of the Reduction and Reoxidation of Isolated Vanadate Sites Supported on MCM-48
- A Theoretical Investigation of Dimethyl Carbonate Synthesis on Cu-Y Zeolite Xiaobo Zheng and Alexis T. Bell*
- Mechanistic Studies of Methanol Oxidation to Formaldehyde on Isolated Vanadate Sites Supported on High Surface Area Zirconia
- Journal of Catalysis 255 (2008) 153161 www.elsevier.com/locate/jcat
- Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals
- Journal of Molecular Catalysis A: Chemical 288 (2008) 8796 Contents lists available at ScienceDirect
- Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5 Niels Hansen,*, Till Bruggemann, Alexis T. Bell,*, and Frerich J. Keil
- Preparation of benzoyl fluoride from benzotrifluoride catalyzed by niobium oxide Joseph Zakzeski, Irene S. Fan, Alexis T. Bell *
- Carbonylation DOI: 10.1002/anie.200900464
- Transition state-finding strategies for use with the growing string method Anthony Goodrow,1
- Role of C-H Bond Strength in the Rate and Selectivity of Oxidative Dehydrogenation of Michael Zboray, Alexis T. Bell,* and Enrique Iglesia*
- Size-Dependent Activity of Co3O4 Nanoparticle Anodes for Alkaline Water Electrolysis Arthur J. Esswein, Meredith J. McMurdo, Phillip N. Ross, Alexis T. Bell,* and T. Don Tilley*
- Are pressure fluctuation-based equilibrium methods really worse than nonequilibrium methods for calculating viscosities?
- Direct Sulfonation of Methane to Methanesulfonic Acid with SO2 Using Ca Salts as Promoters
- Direct Sulfonation of Methane at Low Pressure to Methanesulfonic Acid in the Presence of Potassium Peroxydiphosphate as the Initiator
- Direct catalytic sulfonation of methane with SO2 to methanesulfonic acid (MSA) in the presence of molecular O2
- Improved Fermi operator expansion methods for fast electronic structure calculations
- A Novel Method for the Direct Sulfonation of CH4 with SO3 in the Presence of KO2 and a Promoter
- Synthesis of Mixed Acid Anhydrides from Methane and Carbon Dioxide in
- Synthesis and characterization of a new catalyst Pt/Mg(Ga)(Al)O for alkane dehydrogenation
- Journal of Catalysis 233 (2005) 210220 www.elsevier.com/locate/jcat
- Rate constants from the reaction path Hamiltonian. II. Nonseparable semiclassical transition state theory
- Partial oxidation of methanol over highly dispersed vanadia supported on silica SBA-15
- In situ UV-Visible Spectroscopic Measurements of Kinetic Parameters and Active Sites for Catalytic Oxidation of Alkanes on Vanadium Oxides
- In situ UV-visible assessment of extent of reduction during oxidation reactions on oxide catalysts
- DFT Studies of the Structure and Vibrational Spectra of Isolated Molybdena Species Supported on Silica
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- A Study of the Redox Properties of MoOx/SiO2 Nicholas Ohler and Alexis T. Bell*
- Rate constants from the reaction path Hamiltonian. I. Reactive flux simulations for dynamically correct rates
- A Reaction Mechanism for the Nitrous Oxide Decomposition on Binuclear Oxygen Bridged Iron Sites in Fe-ZSM-5
- Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function
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- Theoretical Simulation of n-Alkane Cracking on Zeolites Joseph A. Swisher,,|
- [25] Y. L. Yang, M. C. Gupta, K. L. Dudley, R. W. Lawrence, Compos. Sci. Technol., in press.
- Mechanism and Site Requirements for Ethanol Oxidation on Vanadium Oxide Domains Beata Kilos, Alexis T. Bell,* and Enrique Iglesia*
- Nitrous Oxide Decomposition over Fe-ZSM-5 in the Presence of Nitric Oxide: A Comprehensive DFT Study
- Liquid-phase oxidation of alkylaromatics by a H-atom transfer mechanism with a new heterogeneous CoSBA-15 catalyst{{
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- A Theoretical Investigation of the Selective Oxidation of Methanol to Formaldehyde on Isolated Vanadate Species Supported on Silica
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- Application of in situ surface-enhanced Raman spectroscopy (SERS) to the study of citrate oxidation on silica-supported silver
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- Published: February 22, 2011 r 2011 American Chemical Society 4114 dx.doi.org/10.1021/jp1105746 |J. Phys. Chem. C 2011, 115, 41144126
