Methylation of olefins with ketene in zeotypes and its implications for the direct conversion of syngas to light olefins: a periodic DFT study

Direct and Highly Selective Conversion of Synthesis Gas into Lower Olefins: Design of a Bifunctional Catalyst Combining Methanol Synthesis and Carbon-Carbon Coupling

(2016) Kang Cheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective conversion of syngas to light olefins

(2016) F. Jiao et al.   SCIENCE

Computational Assessment of the Dominant Factors Governing the Mechanism of Methanol Dehydration over H-ZSM-5 with Heterogeneous Aluminum Distribution

(2016) Arian Ghorbanpour et al.   ACS Catalysis

Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon pool

(2016) Chuan-Ming Wang et al.   Catalysis Science & Technology

Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite

(2015) Dominik B. Rasmussen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

An effective Co/MnOx catalyst for forming light olefins via Fischer–Tropsch synthesis

(2015) Wen-Gui Zhou et al.   CATALYSIS COMMUNICATIONS

Methanol to Olefins (MTO): From Fundamentals to Commercialization

(2015) Peng Tian et al.   ACS Catalysis

Transition-state scaling relations in zeolite catalysis: influence of framework topology and acid-site reactivity

(2015) Chuan-Ming Wang et al.   Catalysis Science & Technology

Similarities and differences between aromatic-based and olefin-based cycles in H-SAPO-34 and H-SSZ-13 for methanol-to-olefins conversion: insights from energetic span model

(2015) Chuan-Ming Wang et al.   Catalysis Science & Technology

Kinetic, Spectroscopic, and Theoretical Assessment of Associative and Dissociative Methanol Dehydration Routes in Zeolites

(2014) Andrew J. Jones et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study

(2014) Veronique Van Speybroeck et al.   CHEMICAL SOCIETY REVIEWS

Methanol-to-hydrocarbons conversion: The alkene methylation pathway

(2014) Rasmus Y. Brogaard et al.   JOURNAL OF CATALYSIS

Reactivity Descriptor in Solid Acid Catalysis: Predicting Turnover Frequencies for Propene Methylation in Zeotypes

(2014) Chuan-Ming Wang et al.   Journal of Physical Chemistry Letters

Methanol–Alkene Reactions in Zeotype Acid Catalysts: Insights from a Descriptor-Based Approach and Microkinetic Modeling

(2014) Rasmus Y. Brogaard et al.   ACS Catalysis

Insights into the reaction mechanism of methanol-to-olefins conversion in HSAPO-34 from first principles: Are olefins themselves the dominating hydrocarbon pool species?

(2013) Chuan-Ming Wang et al.   JOURNAL OF CATALYSIS

Complete low-barrier side-chain route for olefin formation during methanol conversion in H-SAPO-34

(2013) Kristof De Wispelaere et al.   JOURNAL OF CATALYSIS

Catalysts for Production of Lower Olefins from Synthesis Gas: A Review

(2013) Hirsa M. Torres Galvis et al.   ACS Catalysis

Conversion of Methanol to Hydrocarbons: How Zeolite Cavity and Pore Size Controls Product Selectivity

(2012) Unni Olsbye et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Supported Iron Nanoparticles as Catalysts for Sustainable Production of Lower Olefins

(2012) H. M. Torres Galvis et al.   SCIENCE

Mechanism of the Catalytic Conversion of Methanol to Hydrocarbons

(2012) Samia Ilias et al.   ACS Catalysis

How to Conceptualize Catalytic Cycles? The Energetic Span Model

(2010) Sebastian Kozuch et al.   ACCOUNTS OF CHEMICAL RESEARCH

Development of Novel Catalysts for Fischer-Tropsch Synthesis: Tuning the Product Selectivity

(2010) Qinghong Zhang et al.   ChemCatChem

Catalytic activity and selectivity of methylbenzenes in HSAPO-34 catalyst for the methanol-to-olefins conversion from first principles

(2010) Chuan-Ming Wang et al.   JOURNAL OF CATALYSIS

ZSM-5 supported iron catalysts for Fischer–Tropsch production of light olefin

(2009) Suk-Hwan Kang et al.   FUEL PROCESSING TECHNOLOGY

Enzyme-like Specificity in Zeolites: A Unique Site Position in Mordenite for Selective Carbonylation of Methanol and Dimethyl Ether with CO

(2008) Mercedes Boronat et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY