Theoretical study on the reaction mechanism of hydrogenation of furfural to furfuryl alcohol on Lewis acidic BEA zeolites: effects of defect structure and tetravalent metals substitution

Ethylene Epoxidation with Nitrous Oxide over Fe-BTC Metal-Organic Frameworks: A DFT Study

(2016) Thana Maihom et al.   CHEMPHYSCHEM

Furfural: a renewable and versatile platform molecule for the synthesis of chemicals and fuels

(2016) R. Mariscal et al.   Energy & Environmental Science

Heterogeneous Catalytic Transfer Hydrogenation as an Effective Pathway in Biomass Upgrading

(2016) Matthew J. Gilkey et al.   ACS Catalysis

Furfural: A Promising Platform Compound for Sustainable Production of C4 and C5 Chemicals

(2016) Xiaodan Li et al.   ACS Catalysis

Lewis acidic zeolite Beta catalyst for the Meerwein–Ponndorf–Verley reduction of furfural

(2016) Maura Koehle et al.   Catalysis Science & Technology

Mechanistic insights into the structure-dependent selectivity of catalytic furfural conversion on platinum catalysts

(2015) Qiu-Xia Cai et al.   AICHE JOURNAL

Acid-Base Pairs in Lewis Acidic Zeolites Promote Direct Aldol Reactions by Soft Enolization

(2015) Jennifer D. Lewis et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Tin Silsesquioxanes as Models for the “Open” Site in Tin-Containing Zeolite Beta

(2015) Stephen K. Brand et al.   ChemCatChem

Synthesis of Sn-Beta with Exclusive and High Framework Sn Content

(2015) William N. P. van der Graaff et al.   ChemCatChem

A DFT Study of Tungsten-Methylidene Formation on a W/ZSM-5 Zeolite: The Metathesis Active Site

(2015) Thana Maihom et al.   CHEMPHYSCHEM

Hydration of Carbon Dioxide in Copper-Alkoxide Functionalized Metal–Organic Frameworks: A DFT Study

(2015) Chadchalerm Raksakoon et al.   Journal of Physical Chemistry C

Cascade of Liquid-Phase Catalytic Transfer Hydrogenation and Etherification of 5-Hydroxymethylfurfural to Potential Biodiesel Components over Lewis Acid Zeolites

(2014) Jungho Jae et al.   ChemCatChem

A Continuous Flow Strategy for the Coupled Transfer Hydrogenation and Etherification of 5-(Hydroxymethyl)furfural using Lewis Acid Zeolites

(2014) Jennifer D. Lewis et al.   ChemSusChem

Meerwein–Ponndorf–Verley–Oppenauer reaction of crotonaldehyde with ethanol over Zr-containing catalysts

(2014) Vitaly L. Sushkevich et al.   JOURNAL OF CATALYSIS

Investigation of the reaction kinetics of isolated Lewis acid sites in Beta zeolites for the Meerwein–Ponndorf–Verley reduction of methyl levulinate to γ-valerolactone

(2014) Helen Y. Luo et al.   JOURNAL OF CATALYSIS

Density Functional Theory Study of the Dehydrogenation of Ethanol to Acetaldehyde over the Au-Exchanged ZSM-5 Zeolite: Effect of Surface Oxygen

(2014) Thana Maihom et al.   Journal of Physical Chemistry C

Implications of Transition State Confinement within Small Voids for Acid Catalysis

(2014) Andrew J. Jones et al.   Journal of Physical Chemistry C

Synthesis of terephthalic acid via Diels-Alder reactions with ethylene and oxidized variants of 5-hydroxymethylfurfural

(2014) J. J. Pacheco et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Active Sites in Sn-Beta for Glucose Isomerization to Fructose and Epimerization to Mannose

(2014) Ricardo Bermejo-Deval et al.   ACS Catalysis

Synergy between Lewis acid sites and hydroxyl groups for the isomerization of glucose to fructose over Sn-containing zeolites: a theoretical perspective

(2014) Guanna Li et al.   Catalysis Science & Technology

Domino Reaction Catalyzed by Zeolites with Brønsted and Lewis Acid Sites for the Production of γ-Valerolactone from Furfural

(2013) Linh Bui et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Selective liquid-phase hydrogenation of furfural to furfuryl alcohol over Cu-based catalysts

(2013) M.M. Villaverde et al.   CATALYSIS TODAY

The Mechanism of Glucose Isomerization to Fructose over Sn-BEA Zeolite: A Periodic Density Functional Theory Study

(2013) Gang Yang et al.   ChemSusChem

Monosaccharide and disaccharide isomerization over Lewis acid sites in hydrophobic and hydrophilic molecular sieves

(2013) Rajamani Gounder et al.   JOURNAL OF CATALYSIS

Production of Formic Acid via Hydrogenation of CO2 over a Copper-Alkoxide-Functionalized MOF: A Mechanistic Study

(2013) Thana Maihom et al.   Journal of Physical Chemistry C

Novel synthesis of Pd nanoparticles for hydrogenation of biomass-derived platform chemicals showing enhanced catalytic performance

(2013) Kai Yan et al.   RSC Advances

Liquid phase chemo-selective catalytic hydrogenation of furfural to furfuryl alcohol

(2012) Rajesh V. Sharma et al.   APPLIED CATALYSIS A-GENERAL

Density functional study of the activity of gold-supported ZSM-5 zeolites for nitrous oxide decomposition

(2012) Thana Maihom et al.   CHEMICAL PHYSICS LETTERS

Mechanistic Studies on the Transformation of Ethanol into Ethene over Fe-ZSM-5 Zeolite

(2012) Thana Maihom et al.   CHEMPHYSCHEM

Sn-Beta catalysed conversion of hemicellulosic sugars

(2012) Martin S. Holm et al.   GREEN CHEMISTRY

Skeletal Isomerization of 1-Butene over Ferrierite Zeolite: A Quantum Chemical Analysis of Structures and Reaction Mechanisms

(2012) Chularat Wattanakit et al.   Journal of Physical Chemistry C

Metalloenzyme-like catalyzed isomerizations of sugars by Lewis acid zeolites

(2012) R. Bermejo-Deval et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Sn-Beta zeolites with borate salts catalyse the epimerization of carbohydrates via an intramolecular carbon shift

(2012) William R. Gunther et al.   Nature Communications

Methane Activation in Gold Cation-Exchanged Zeolites: A DFT Study

(2012) Sippakorn Wannakao et al.   ACS Catalysis

DFT Study of Furfural Conversion to Furan, Furfuryl Alcohol, and 2-Methylfuran on Pd(111)

(2012) Vassili Vorotnikov et al.   ACS Catalysis

Synthesis and Catalytic Activity of Sn-MFI Nanosheets for the Baeyer–Villiger Oxidation of Cyclic Ketones

(2012) Helen Y. Luo et al.   ACS Catalysis

Formaldehyde Encapsulated in Lithium-Decorated Metal-Organic Frameworks: A Density Functional Theory Study

(2011) Thana Maihom et al.   CHEMPHYSCHEM

Tin-containing zeolite for the isomerization of cellulosic sugars

(2011) Christopher M. Lew et al.   MICROPOROUS AND MESOPOROUS MATERIALS

“One-Pot” Synthesis of 5-(Hydroxymethyl)furfural from Carbohydrates using Tin-Beta Zeolite

(2011) Eranda Nikolla et al.   ACS Catalysis

Adsorption and Reaction of Furfural and Furfuryl Alcohol on Pd(111): Unique Reaction Pathways for Multifunctional Reagents

(2011) Simon H. Pang et al.   ACS Catalysis

Kinetics and mechanism of hydrogenation of furfural on Cu/SiO2 catalysts

(2010) Surapas Sitthisa et al.   JOURNAL OF CATALYSIS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of the Zeolite Nanocavity on the Reaction Mechanism of n-Hexane Cracking: A Density Functional Theory Study

(2010) T. Maihom et al.   Journal of Physical Chemistry C

Metal Alkoxide Functionalization in Metal−Organic Frameworks for Enhanced Ambient-Temperature Hydrogen Storage

(2010) Rachel B. Getman et al.   Journal of Physical Chemistry C

Preparation and activity evaluation of NiMoB/γ-Al2O3 catalyst by liquid-phase furfural hydrogenation

(2010) Shuqin Wei et al.   Particuology

Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water

(2010) M. Moliner et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Bimetallic PtSn catalyst for the selective hydrogenation of furfural to furfuryl alcohol in liquid-phase

(2009) Andrea B. Merlo et al.   CATALYSIS COMMUNICATIONS

Zeolite-Catalyzed Isomerization of Triose Sugars

(2009) Esben Taarning et al.   ChemSusChem

Mechanistic Investigation on 1,5- to 2,6-Dimethylnaphthalene Isomerization Catalyzed by Acidic β Zeolite: ONIOM Study with an M06-L Functional

(2009) Chawanwit Kumsapaya et al.   Journal of Physical Chemistry C

Reaction Mechanisms of the Methylation of Ethene with Methanol and Dimethyl Ether over H-ZSM-5: An ONIOM Study

(2009) T. Maihom et al.   Journal of Physical Chemistry C

Reactivity in the confined spaces of zeolites: the interplay between spectroscopy and theory to develop structure–activity relationships for catalysis

(2009) Mercedes Boronat et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials

(2008) Stephen J. Kolmann et al.   CHEMICAL PHYSICS LETTERS

Theoretical Study on Structures and Reaction Mechanisms of Ethylene Oxide Hydration over H-ZSM-5: Ethylene Glycol Formation

(2008) Thana Maihom et al.   Journal of Physical Chemistry C