The first carbon-carbon bond formation mechanism in methanol-to-hydrocarbons process over chabazite zeolite

Methylcyclopentenyl Cations Linking Initial Stage and Highly Efficient Stage in Methanol-to-Hydrocarbon Process

(2020) Wenna Zhang et al.   ACS Catalysis

Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics

(2019) Philipp N. Plessow et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unraveling the Homologation Reaction Sequence of the Zeolite-Catalyzed Ethanol-to-Hydrocarbons Process

(2019) Abhishek Dutta Chowdhury et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

On the Accuracy of Density Functional Theory in Zeolite Catalysis

(2019) Tiago J. Goncalves et al.   ChemCatChem

Observation of an oxonium ion intermediate in ethanol dehydration to ethene on zeolite

(2019) Xue Zhou et al.   Nature Communications

Ab Initio Calculations for Molecule–Surface Interactions with Chemical Accuracy

(2019) Joachim Sauer   ACCOUNTS OF CHEMICAL RESEARCH

Extra-Framework Aluminum-Assisted Initial C−C Bond Formation in Methanol-to-Olefins Conversion on Zeolite H-ZSM-5

(2018) Chao Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Brønsted/Lewis acid sites synergistically promote the initial C–C bond formation in the MTO reaction

(2018) Yueying Chu et al.   Chemical Science

Ab Initio Prediction of Proton Exchange Barriers for Alkanes at Brønsted Sites of Zeolite H-MFI

(2018) Marcin Rybicki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unraveling the Mechanism of the Initiation Reaction of the Methanol to Olefins Process Using ab Initio and DFT Calculations

(2017) Philipp N. Plessow et al.   ACS Catalysis

Toward the Balance between the Reductionist and Systems Approaches in Computational Catalysis: Model versus Method Accuracy for the Description of Catalytic Systems

(2017) Evgeny A. Pidko   ACS Catalysis

Initial Carbon-Carbon Bond Formation during the Early Stages of the Methanol-to-Olefin Process Proven by Zeolite-Trapped Acetate and Methyl Acetate

(2016) Abhishek Dutta Chowdhury et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Formation Mechanism of the First Carbon-Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons

(2016) Yue Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen Transfer Pathways during Zeolite Catalyzed Methanol Conversion to Hydrocarbons

(2016) Sebastian Müller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atom-economical synthesis of a high silica CHA zeolite using a solvent-free route

(2015) Xiong Wang et al.   CHEMICAL COMMUNICATIONS

The formation and degradation of active species during methanol conversion over protonated zeotype catalysts

(2015) U. Olsbye et al.   CHEMICAL SOCIETY REVIEWS

Methanol to Olefins (MTO): From Fundamentals to Commercialization

(2015) Peng Tian et al.   ACS Catalysis

Cooperativity between Al Sites Promotes Hydrogen Transfer and Carbon–Carbon Bond Formation upon Dimethyl Ether Activation on Alumina

(2015) Aleix Comas-Vives et al.   ACS Central Science

A route to form initial hydrocarbon pool species in methanol conversion to olefins over zeolites

(2014) Junfen Li et al.   JOURNAL OF CATALYSIS

Direct Observation of Cyclic Carbenium Ions and Their Role in the Catalytic Cycle of the Methanol-to-Olefin Reaction over Chabazite Zeolites

(2013) Shutao Xu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Observation of Heptamethylbenzenium Cation over SAPO-Type Molecular Sieve DNL-6 under Real MTO Conversion Conditions

(2011) Jinzhe Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Role of Methoxy Groups in Methanol to Olefin Conversion

(2008) Zhi-Min Cui et al.   Journal of Physical Chemistry C

Hydrogen Bonding Lowers Intrinsic Nucleophilicity of Solvated Nucleophiles

(2008) Xin Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY