ab initio selection of zeolite topology for biomass conversion to para-xylene based on transition state selectivity

Enhancement of p-Xylene Selectivity in the Reaction between 2,5-Dimethylfuran and Ethanol over Ammonium Fluoride Modified ZSM-5 Zeolite

(2022) Rongrong Zhao et al.   Catalysis Science & Technology

Amorphous Silica‐Alumina as Suitable Catalyst for the Diels‐Alder Cycloaddition of 2,5 ‐Dimethylfuran and Ethylene to Biobased p ‐Xylene

(2022) Ferdy J. A. G. Coumans et al.   ChemCatChem

Spatiotemporal Coke Coupling Enhances para-Xylene Selectivity in Highly Stable MCM-22 Catalysts

(2022) Deependra Parmar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Renewable p-xylene synthesis via biomass-derived 2,5-dimethylfuran and ethanol by phosphorous modified H-Beta zeolite

(2022) Rongrong Zhao et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Insight into the effect of tetrapropylammonium hydroxide on HZSM-5 zeolite and its application in the reaction between 2,5-dimethylfuran and ethanol to p-xylene

(2022) Rongrong Zhao et al.   Catalysis Science & Technology

Recent Advances for Selective Catalysis in Benzene Methylation: Reactions, Shape-Selectivity and Perspectives

(2021) Dongliang Wang et al.   CATALYSIS SURVEYS FROM ASIA

Development of Predictive Models for Activated Carbon Synthesis from Different Biomass for CO2 Adsorption Using Artificial Neural Networks

(2021) Hossein Mashhadimoslem et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A priori control of zeolite phase competition and intergrowth with high-throughput simulations

(2021) Daniel Schwalbe-Koda et al.   SCIENCE

Diels–Alder Cycloaddition of Biomass-Derived 2,5-Dimethylfuran and Ethylene over Sulfated and Phosphated Metal Oxides for Renewable p-Xylene

(2021) Hanbyeol Kim et al.   Catalysts

Rational Design and Targeted Synthesis of Small-Pore Zeolites with the Assistance of Molecular Modeling, Structural Analysis, and Synthetic Chemistry

(2021) Dan Xie   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Acidity and catalyst performance of two shape-selective HZSM-5 catalysts for alkylation of toluene with methanol

(2020) Guixian Li et al.   Reaction Kinetics Mechanisms and Catalysis

Unprecedented activity and stability on zirconium phosphates grafted mesoporous silicas for renewable aromatics production from furans

(2020) Saravanan Kasipandi et al.   JOURNAL OF CATALYSIS

Morphological effects on catalytic performance of LTL zeolites in acylation of 2-methylfuran enhanced by non-microwave instant heating

(2020) Nur Hidayahni Ahmad et al.   MATERIALS CHEMISTRY AND PHYSICS

Experimental and Theoretical Assessments of Aluminum Proximity in MFI Zeolites and Its Alteration by Organic and Inorganic Structure-Directing Agents

(2020) Claire T. Nimlos et al.   CHEMISTRY OF MATERIALS

Multi‐Stimuli Nanocomposite Therapeutic: Docetaxel Targeted Delivery and Synergies in Treatment of Human Breast Cancer Tumor

(2020) Reza Taheri‐Ledari et al.   Small

High CO2 Adsorption on Amine-Functionalized Improved Mesoporous Silica Nanotube as an Eco-Friendly Nanocomposite

(2019) Fatemeh S. Taheri et al.   ENERGY & FUELS

High Efficiency and Eco-Friendly TEPA-Functionalized Adsorbent with Enhanced Porosity for CO2 Capture

(2019) Fatemeh S. Taheri et al.   ENERGY & FUELS

Ultra-selective p-xylene production through cycloaddition and dehydration of 2,5-dimethylfuran and ethylene over tin phosphate

(2019) Xinqiang Feng et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Small-Pore Zeolites: Synthesis and Catalysis

(2018) Michiel Dusselier et al.   CHEMICAL REVIEWS

Electronic Structure Analysis of the Diels–Alder Cycloaddition Catalyzed by Alkali-Exchanged Faujasites

(2018) Roderigh Y. Rohling et al.   Journal of Physical Chemistry C

Eco-friendly functionalization of magnetic halloysite nanotube with SO 3 H for synthesis of dihydropyrimidinones

(2018) Ali Maleki et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Green oxidation protocol: Selective conversions of alcohols and alkenes to aldehydes, ketones and epoxides by using a new multiwall carbon nanotube-based hybrid nanocatalyst via ultrasound irradiation

(2018) Ali Maleki   ULTRASONICS SONOCHEMISTRY

Novel Leaking-Free, Green, Double Core/Shell, Palladium-Loaded Magnetic Heterogeneous Nanocatalyst for Selective Aerobic Oxidation

(2018) Ali Maleki et al.   CATALYSIS LETTERS

A modeling study on reaction and diffusion in MTO process over SAPO-34 zeolites

(2018) Mingbin Gao et al.   CHEMICAL ENGINEERING JOURNAL

Excellent Performances of Dealuminated H-Beta Zeolites from Organotemplate-free Synthesis in Conversion of Biomass-derived 2,5-Dimethylfuran to Renewable p-Xylene

(2018) Rongrong Zhao et al.   ChemSusChem

Deconvoluting the Competing Effects of Zeolite Framework Topology and Diffusion Path Length on Methanol-to-Hydrocarbon Reactions

(2018) Yufeng Shen et al.   ACS Catalysis

Roles of 8-ring and 12-ring channels in mordenite for carbonylation reaction: From the perspective of molecular adsorption and diffusion

(2018) Zhiqiang Liu et al.   JOURNAL OF CATALYSIS

Diffusion Dependence of the Dual-Cycle Mechanism for MTO Reaction Inside ZSM-12 and ZSM-22 Zeolites

(2017) Zhiqiang Liu et al.   Journal of Physical Chemistry C

“Ab initio” synthesis of zeolites for preestablished catalytic reactions

(2017) Eva María Gallego et al.   SCIENCE

An Active Alkali-Exchanged Faujasite Catalyst for p-Xylene Production via the One-Pot Diels–Alder Cycloaddition/Dehydration Reaction of 2,5-Dimethylfuran with Ethylene

(2017) Roderigh Y. Rohling et al.   ACS Catalysis

Influence of pore topology on synthesis and reactivity of Sn-modified zeolite catalysts for carbohydrate conversions

(2017) William N. P. van der Graaff et al.   Catalysis Science & Technology

Shape selective catalysis in methylation of toluene: Development, challenges and perspectives

(2017) Jian Zhou et al.   Frontiers of Chemical Science and Engineering

p- Xylene selectivity enhancement in methanol toluene alkylation by separation of catalysis function and shape-selective function

(2017) Chuanfu Wang et al.   Molecular Catalysis

Efficient oxidation and epoxidation using a chromium(VI)-based magnetic nanocomposite

(2016) Ali Maleki et al.   Environmental Chemistry Letters

Adsorption and reaction properties of SnBEA, ZrBEA and H-BEA for the formation of p-xylene from DMF and ethylene

(2016) Jingye Yu et al.   Catalysis Science & Technology

Quantum Mechanical Basis for Kinetic Diameters of Small Gaseous Molecules

(2014) Nada Mehio et al.   JOURNAL OF PHYSICAL CHEMISTRY A

p-Xylene Formation by Dehydrative Aromatization of a Diels–Alder Product in Lewis and Brønsted Acidic Zeolites

(2014) Nima Nikbin et al.   Journal of Physical Chemistry C

Computational Study of p-Xylene Synthesis from Ethylene and 2,5-Dimethylfuran Catalyzed by H-BEA

(2014) Yi-Pei Li et al.   Journal of Physical Chemistry C

Selective Production of Aromatics from Alkylfurans over Solid Acid Catalysts

(2013) Dong Wang et al.   ChemCatChem

Ultra-selective cycloaddition of dimethylfuran for renewable p-xylene with H-BEA

(2013) Chun-Chih Chang et al.   GREEN CHEMISTRY

Process of p-Xylene Production by Highly Selective Methylation of Toluene

(2013) Muhammad Tahir Ashraf et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Molecular shape-selectivity of MFI zeolite nanosheets in n-decane isomerization and hydrocracking

(2013) Elke Verheyen et al.   JOURNAL OF CATALYSIS

KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results†

(2013) Sébastien Canneaux et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Methanol Usage in Toluene Methylation with Medium and Large Pore Zeolites

(2013) John H. Ahn et al.   ACS Catalysis

A DFT study of the acid-catalyzed conversion of 2,5-dimethylfuran and ethylene to p-xylene

(2012) Nima Nikbin et al.   JOURNAL OF CATALYSIS

Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections

(2012) You-Sheng Lin et al.   Journal of Chemical Theory and Computation

Cycloaddition of Biomass-Derived Furans for Catalytic Production of Renewable p-Xylene

(2012) C. Luke Williams et al.   ACS Catalysis

Investigation into the shape selectivity of zeolite catalysts for biomass conversion

(2011) Jungho Jae et al.   JOURNAL OF CATALYSIS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Adsorption and Diffusion of Fructose in Zeolite HZSM-5: Selection of Models and Methods for Computational Studies

(2011) Lei Cheng et al.   Journal of Physical Chemistry C

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY