Alexis T. Bell
Sessions chaired or co-chaired:
A Report on the DOE Workshop on Basic Research Needs in Catalysis for Energy Applications2006 Annual Meeting
Reaction Engineering Symposium in Memory of E.E. Petersen2007 Annual Meeting
Authored:
(628a) Nitrous Oxide Decomposition over Fe-Zsm-5 in the Presence of Nitric Oxide: a Comprehensive Dft Study2006 Annual Meeting
(688a) A Reaction Mechanism for the Nitrous Oxide Decomposition on Binuclear Oxygen Bridged Iron Sites in Fe-Zsm-52006 Annual Meeting
(616a) Effects of Support Composition on the Activity of Cu/Mxzr1-Xo2 (M = Ce, Pr, Mn) for Methanol Synthesis Via Co Hydrogenation2006 Annual Meeting
(175g) A Novel Approach for Preparing Heterogenized Homogeneous Catalysts in Mesoporous Polymer Supports2006 Annual Meeting
(254d) Mechanistic Studies of Olefin Epoxidation by Hydrogen Peroxide Catalyzed by Iron Porphyrins2006 Annual Meeting
(690f) An Investigation of the Mechanism for Methanol Oxidation to Formaldehyde on V-MCM-482006 Annual Meeting
(660b) A Dft Study of the Structure of Isolated Molybdena Species Supported on Silica and Their Activity for Methane Oxidation to Formaldehyde2006 Annual Meeting
(44g) Validation of Reaction Mechanisms Used to Represent Reaction Kinetics for Catayzed Processes2006 Annual Meeting
(445d) Effects of Zeolite Structure and Composition on the Synthesis of Dimethyl Carbonate by Oxidative Carbonylation of Methanol on Cu-Exchanged Y, Zsm-5, and Mordenite2006 Annual Meeting
(198b) Adjusting Ligand Characteristics Of Rhodium Complexes To Improve Reactivity Of Aromatic Hydrocarbon Oxidative Carbonylation To Aromatic Acid2007 Annual Meeting
(19d) A Comparative Theoretical Study Of Methanol Oxidation On Isolated Vanadate Species Supported On Silica And Titania2007 Annual Meeting
(654e) Ethylene Glycol Precursor Synthesis Via Formaldehyde Carbonylation Over Solid Acids2007 Annual Meeting
(31b) How Modern Theoretical Methods Help In Understanding Catalysis At A Fundamental Level2007 Annual Meeting
(419b) Catalytic Activity And Oxidation States Of Cu And Pd In Carbon-Supported Catalysts For The Oxidative Carbonylation Of Ethanol2007 Annual Meeting
(238b) Identifying Structure-Property Relationships for Selective Oxidation Catalysts2007 Annual Meeting
(669d) Development and Application of a Hybrid Method Involving Interpolation and Ab Initio Calculations for the Determination of Transition States2008 Annual Meeting
(348b) A Combined Experimental and Theoretical Investigation of the Structure and Reactivity of VOx/TiO2/SiO2 Catalysts for Methanol Oxidation2008 Annual Meeting
(529f) Theoretical Investigation of the Rh(TFA)3(CO)2 Catalyst for the Oxidative Carbonylation of Toluene to P-Toluic Acid2008 Annual Meeting
(327a) A Look at the Advances In Catalysis Over the Past Century and Thoughts on the Challenges for the Future2008 Annual Meeting
(585a) Alkylation of Benzene with Ethene over H-ZSM-5 – A Multiscale Investigation2008 Annual Meeting
(93b) Chemical Reaction Engineering: Looking towards the Future from a Molecular Perspective2008 Annual Meeting
(152f) First-Principles Simulation of the Effects of Intrinsic Kinetics, Adsorption, and Diffusion On the Observed Rates of Reaction Occurring in Zeolites2009 Annual Meeting
(18a) A First-Principles Approach for Predicting the Rate Coefficient for n-Alkane Cracking in Zeolites2009 Annual Meeting
(18b) Intrinsic and Apparent Kinetics for the Alkylation of Benzene Over H-ZSM-5 – A Multiscale Investigation From the Molecular Level to the Reactor2009 Annual Meeting
(301e) Effects of Ligand Composition On the Activity of Rh(III) for the Oxidative Carbonylation of Toluene to p-Toluic Acid2009 Annual Meeting
(242c) A Novel Approach to Synthesis of Highly Selective Pt/Mg(Al)(Ga)O Catalysts for the Dehydrogenation of Alkanes to Alkenes and Hydrogen2009 Annual Meeting
(349e) Effect of Zeolite Structure and Composition On Vapor-Phase Carbonylation of Dimethoxymethane2009 Annual Meeting
(611d) Characterization of Model Vanadium Oxo Catalysts On Silicon Wafer Substrates2009 Annual Meeting
(147b) Understanding Hydrocarbon Reactivity In Zeolites with Molecular Dynamics Simulations2011 Annual Meeting
(551f) Efficient Location of Transition State Structures Via the Freezing String Method2011 Annual Meeting
(640e) Effects of Synthesis Conditions and Dispersion On the Propene Oligomerization Activity of Ni-Containing Microporous Catalysts2011 Annual Meeting
(711b) Tuning Oxygen Basicity and Metal Reducibility In Bismuth Vanadate-Molybdate Catalysts2011 Annual Meeting
(641e) Effects of Reaction Conditions On the Acid-Catalyzed Hydrolysis of Miscanthus Dissolved In An Ionic Liquid2011 Annual Meeting
(356f) Etherification of Biomass Derived Molecules for Effective Diesel Fuel Production2011 Annual Meeting
(447b) Density Functional Study of the Mechanism of the Catalytic Activity of a “Vanadate/Pca/H2O2” Reagent2005 Annual Meeting
(419f) Quantum Mechanical Single Molecule Partition Function from Path Integral Monte Carlo Simulations2005 Annual Meeting
(478b) Synthesis of Dimethyl Carbonate, Dimethoxy Methane, and Methyl Formate on Cu-Y and Cu-Zsm-52005 Annual Meeting
(63b) The Mechanism and Kinetics of Methane Oxidation to Formaldehyde over Moox/Sio22005 Annual Meeting
(122c) Computational Chemistry – a Tool for Gaining Insights into the Progress of Catalyzed Reactions2005 Annual Meeting
(326a) Challenges in the Field of Catalysis – Implications for Chemical Reaction Engineering2005 Annual Meeting
(384d) Efficient Methods for Finding Transition States in Chemical Reactions: Comparison of Improved Dimer Method and Partitioned Rational Function Optimization Method2005 Annual Meeting
(356a) Kinetic Modeling of Nitrous Oxide Decomposition on Fe-Zsm-5 Based on Parameters Obtained from a Comprehensive Dft Study2005 Annual Meeting
(728c) Mechanistic Investigation On the Role of Zirconium in the Oxidation of Methanol to Formaldehyde On Bilayered VOx/ZrOx/SiO2 Catalysts2010 Annual Meeting
(324g) A DFT Study of the Mechanism of Zeolite-Catalyzed Carbonylation of Dimethoxymethane – a Critical Step along the Path From Synthesis Gas to Mono-Ethylene Glycol2010 Annual Meeting
Associated proceedings:
2006 Annual Meeting
2007 Annual Meeting
2008 Annual Meeting
2009 Annual Meeting
2011 Annual Meeting
2005 Annual Meeting
2010 Annual Meeting