Related references
Note: Only part of the references are listed.Factors Controlling the Acidity of Zeolites
Mercedes Boronat et al.
CATALYSIS LETTERS (2015)
Insight into the Formation and Reactivity of Framework-Bound Methoxide Species in H-ZSM-5 from Static and Dynamic Molecular Simulations
Jeroen Van der Mynsbrugge et al.
CHEMCATCHEM (2014)
First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
Veronique Van Speybroeck et al.
CHEMICAL SOCIETY REVIEWS (2014)
Methanol-to-hydrocarbons conversion: The alkene methylation pathway
Rasmus Y. Brogaard et al.
JOURNAL OF CATALYSIS (2014)
Acid strength and solvation in catalysis by MFI zeolites and effects of the identity, concentration and location of framework heteroatoms
Andrew J. Jones et al.
JOURNAL OF CATALYSIS (2014)
Reaction Dynamics of Zeolite-Catalyzed Alkene Methylation by Methanol
Joseph Gomes et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Implications of Transition State Confinement within Small Voids for Acid Catalysis
Andrew J. Jones et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Reactivity Descriptor in Solid Acid Catalysis: Predicting Turnover Frequencies for Propene Methylation in Zeotypes
Chuan-Ming Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Ionic and Covalent Stabilization of Intermediates and Transition States in Catalysis by Solid Acids
Prashant Deshlahra et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol
Felix Studt et al.
NATURE CHEMISTRY (2014)
Assessing the reliability of calculated catalytic ammonia synthesis rates
Andrew J. Medford et al.
SCIENCE (2014)
Methanol-Alkene Reactions in Zeotype Acid Catalysts: Insights from a Descriptor-Based Approach and Microkinetic Modeling
Rasmus Y. Brogaard et al.
ACS CATALYSIS (2014)
Verification of the dual cycle mechanism for methanol-to-olefin conversion in HSAPO-34: a methylbenzene-based cycle from DFT calculations
Chuan-Ming Wang et al.
CATALYSIS SCIENCE & TECHNOLOGY (2014)
The Acidity of Zeolites: Concepts, Measurements and Relation to Catalysis: A Review on Experimental and Theoretical Methods for the Study of Zeolite Acidity
E. G. Derouane et al.
CATALYSIS REVIEWS-SCIENCE AND ENGINEERING (2013)
Enthalpy and Entropy Barriers Explain the Effects of Topology on the Kinetics of Zeolite-Catalyzed Reactions
Jeroen Van der Mynsbrugge et al.
CHEMISTRY-A EUROPEAN JOURNAL (2013)
Unraveling the Reaction Mechanisms Governing Methanol-to-Olefins Catalysis by Theory and Experiment
Karen Hemelsoet et al.
CHEMPHYSCHEM (2013)
Insights into the reaction mechanism of methanol-to-olefins conversion in HSAPO-34 from first principles: Are olefins themselves the dominating hydrocarbon pool species?
Chuan-Ming Wang et al.
JOURNAL OF CATALYSIS (2013)
Mechanism of the Catalytic Conversion of Methanol to Hydrocarbons
Samia Ilias et al.
ACS CATALYSIS (2013)
The Roles of Entropy and Enthalpy in Stabilizing Ion-Pairs at Transition States in Zeolite Acid Catalysis
Rajamani Gounder et al.
ACCOUNTS OF CHEMICAL RESEARCH (2012)
Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity
Unni Olsbye et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Modeling van der Waals Interactions in Zeolites with Periodic DFT: Physisorption of n-Alkanes in ZSM-22
Rasmus Y. Brogaard et al.
CATALYSIS LETTERS (2012)
Kinetics and mechanism of olefin methylation reactions on zeolites
Ian M. Hill et al.
JOURNAL OF CATALYSIS (2012)
Acid strength and solvation effects on methylation, hydride transfer, and isomerization rates during catalytic homologation of C1 species
Dante A. Simonetti et al.
JOURNAL OF CATALYSIS (2012)
Methylation of Ethene by Surface Methoxides: A Periodic PBE plus D Study across Zeolites
M. N. Mazar et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
Jess Wellendorff et al.
PHYSICAL REVIEW B (2012)
Theoretical Simulations Elucidate the Role of Naphthalenic Species during Methanol Conversion within H-SAPO-34
Karen Hemelsoet et al.
CHEMISTRY-A EUROPEAN JOURNAL (2011)
Catalytic consequences of acid strength in the conversion of methanol to dimethyl ether
Robert T. Carr et al.
JOURNAL OF CATALYSIS (2011)
Adsorption of C2-C8 n-Alkanes in Zeolites
Bart A. De Moor et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions
Veronique Van Speybroeck et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Density functional theory in surface chemistry and catalysis
Jens K. Norskov et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Mechanistic Aspects of the Zeolite Catalyzed Methylation of Alkenes and Aromatics with Methanol: A Review
Stian Svelle et al.
TOPICS IN CATALYSIS (2011)
Catalytic activity and selectivity of methylbenzenes in HSAPO-34 catalyst for the methanol-to-olefins conversion from first principles
Chuan-Ming Wang et al.
JOURNAL OF CATALYSIS (2010)
Methanol to Olefin Conversion on HSAPO-34 Zeolite from Periodic Density Functional Theory Calculations: A Complete Cycle of Side Chain Hydrocarbon Pool Mechanism
Chuan-Ming Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Structure-Reactivity Relationship for Catalytic Activity of Gallium Oxide and Sulfide Clusters in Zeolite
Evgeny A. Pidko et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Correlation between Bronsted Acid Strength and Local Structure in Zeolites
Naonobu Katada et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Reaction Mechanisms of the Methylation of Ethene with Methanol and Dimethyl Ether over H-ZSM-5: An ONIOM Study
T. Maihom et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Quantum Chemical Modeling of Zeolite-Catalyzed Methylation Reactions: Toward Chemical Accuracy for Barriers
Stian Svelle et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Towards the computational design of solid catalysts
J. K. Norskov et al.
NATURE CHEMISTRY (2009)
Impact of Zeolites on the Petroleum and Petrochemical Industry
W. Vermeiren et al.
TOPICS IN CATALYSIS (2009)
A link between reactivity and local structure in acid catalysis on zeolites
Aditya Bhan et al.
ACCOUNTS OF CHEMICAL RESEARCH (2008)
Ru-Pt core-shell nanoparticles for preferential oxidation of carbon monoxide in hydrogen
Selim Alayoglu et al.
NATURE MATERIALS (2008)
Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene
Felix Studt et al.
SCIENCE (2008)
Ammonia IRMS-TPD measurements and DFT calculation on acidic hydroxyl groups in CHA-type zeolites
Katsuki Suzuki et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Conversion of methanol into hydrocarbons over zeolite H-ZSM-5: Ethene formation is mechanistically separated from the formation of higher alkenes
Stian Svelle et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
Jeff Greeley et al.
NATURE MATERIALS (2006)
Kinetic studies of zeolite-catalyzed methylation reactions.: Part 2.: Co-reaction of [12C]propene or [12C]n-butene and [13C]methanol
S Svelle et al.
JOURNAL OF CATALYSIS (2005)
Activity-acidity relationship for alkane cracking over zeolites:: n-hexane cracking over HZSM-5
P Borges et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2005)
Molecular simulation of alkene adsorption in zeolites
S Jakobtorweihen et al.
MOLECULAR PHYSICS (2005)
Kinetic studies of zeolite-catalyzed methylation reactions 1.: Coreaction of [12C]ethene and [13C]methanol
S Svelle et al.
JOURNAL OF CATALYSIS (2004)
State of the art and future challenges of zeolites as catalysts
A Corma
JOURNAL OF CATALYSIS (2003)
Zeolite acid strength and reaction mechanisms in catalysist
JF Haw
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2002)
Reactivity descriptors and rate constants for electrophilic aromatic substitution: Acid zeolite catalyzed methylation of benzene and toluene
AM Vos et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Microcalorimetry methods to study the acidity and reactivity of zeolites, pillared clays and mesoporous materials
A Auroux
TOPICS IN CATALYSIS (2002)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)