Recent advances in heterogeneous catalysts for bio-oil upgrading via “ex situ catalytic fast pyrolysis”: catalyst development through the study of model compounds
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January 2014 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Recent Advances in Catalytic Conversion of Ethanol to Chemicals
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March 2014 |
A Correlation of Reaction Rates
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January 1955 |
From laboratory experiments to simulation studies of methanol dehydration to produce dimethyl ether—Part I: Reaction kinetic study
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November 2013 |
Intrinsic Kinetics of Ethanol Dehydration Over Lewis Acidic Ordered Mesoporous Silicate, Zr-KIT-6
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September 2014 |
Diffusion mechanism of hydrocarbons in zeolites—I. Theory
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April 1992 |
Ethanol Dehydration in HZSM-5 Studied by Density Functional Theory: Evidence for a Concerted Process
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April 2015 |
Calorimetric Study of Alcohol and Nitrile Adsorption Complexes in H-ZSM-5
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May 1997 |
Performance of the M062X density functional against the ISOL set of benchmark isomerization energies for large organic molecules
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November 2010 |
The Enthalpy-Entropy Relationship and its Implications for Organic Chemistry
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September 1955 |
13C solid state NMR evidence for the existence of isobutyl carbenium ion in the reaction of isobutyl alcohol dehydration in H-ZSM-5 zeolite
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January 1993 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H-ZSM-5
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March 2016 |
Conversion of ethanol over zeolite H-ZSM-5
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June 1994 |
Quantitatively Probing the Al Distribution in Zeolites
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May 2014 |
Theoretical study of the adsorption of C1–C4 primary alcohols in H-ZSM-5
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January 2010 |
A comparative study of straw, perennial grasses and hardwoods in terms of fast pyrolysis products
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June 2013 |
Dehydration reaction of bio-ethanol to ethylene over modified SAPO catalysts
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September 2010 |
Comparison of four catalysts in the catalytic dehydration of ethanol to ethylene
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December 2008 |
Catalytic Upgrading of Biomass-Derived Compounds via C–C Coupling Reactions: Computational and Experimental Studies of Acetaldehyde and Furan Reactions in HZSM-5
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October 2015 |
Rietveld profile analysis of calcined AlPO 4 -11 using pulsed neutron powder diffraction
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August 1988 |
Mechanistic Study of Alcohol Dehydration on γ-Al 2 O 3
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July 2012 |
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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July 2007 |
Theoretical Investigation of Ethanol Conversion to Ethylene over H–ZSM–5 and Transition Metals–Exchanged ZSM–5
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November 2011 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Carbocation Stability in H-ZSM5 at High Temperature
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November 2015 |
Dealuminated H−Y Zeolites: Influence of the Number and Type of Acid Sites on the Catalytic Activity for Isopropanol Dehydration
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September 2000 |
Increase in the number of acid sites of a H-ZSM5 zeolite during the dehydration of ethanol
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March 2007 |
Ethanol transformation over HFAU, HBEA and HMFI zeolites presenting similar Brønsted acidity
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October 2009 |
DFT study of ethanol dehydration catalysed by hematite
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January 2016 |
The Hydrocarbon Pool in Ethanol-to-Gasoline over HZSM-5 Catalysts
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November 2008 |
Mechanistic Studies on the Transformation of Ethanol into Ethene over Fe-ZSM-5 Zeolite
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November 2012 |
Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator Model for Adsorption Enthalpies
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January 2015 |
Diffusion of aromatic hydrocarbons in hierarchical mesoporous H-ZSM-5 zeolite
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August 2018 |
Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research
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December 2017 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Mechanism of the reductive dehydration of ethanol into C3+ alkanes over the commercial alumina—platinum catalyst AP-64
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January 2016 |
Compensation effect in isopropanol dehydration over heteropoly acid catalysts at a gas–solid interface
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September 2012 |
Surface acidity modifications induced by thermal treatments and acid leaching on microcrystalline H-BEA zeolite. A FTIR, XRD and MAS-NMR study
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January 2000 |
Effects of the Zeolite Framework on the Adsorptions and Hydrogen-Exchange Reactions of Unsaturated Aliphatic, Aromatic, and Heterocyclic Compounds in ZSM-5 Zeolite: A Combination of Perturbation Theory (MP2) and a Newly Developed Density Functional Theory (M06-2X) in ONIOM Scheme
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November 2009 |
13C CP/MAS NMR study of isobutyl alcohol dehydration on H-ZSM-5 zeolite. Evidence for the formation of stable isobutyl silyl ether intermediate
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January 1992 |
13C CP/MAS and2H NMR study of tert-butyl alcohol dehydration on H-ZSM-5 zeolite. Evidence for the formation of tert-butyl cation and tert-butyl silyl ether intermediates
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January 1992 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Ethylene from ethanol over zeolite catalysts
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January 1987 |
Dehydration of Ethanol into Ethylene over Solid Acid Catalysts
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December 2005 |
Exploring Low-Temperature Dehydrogenation at Ionic Cu Sites in Beta Zeolite To Enable Alkane Recycle in Dimethyl Ether Homologation
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April 2017 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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May 1994 |
Ethylene Formation by Catalytic Dehydration of Ethanol with Industrial Considerations
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December 2012 |
Brønsted Acidity of Isomorphously Substituted ZSM-5 by B, Al, Ga, and Fe. Density Functional Investigations
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September 2002 |
Diffusion of Biomass Pyrolysis Products in H-ZSM-5 by Molecular Dynamics Simulations
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December 2016 |
Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5
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February 2012 |
Structural and electronic features of a Broensted acid site in H-ZSM-5
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June 1993 |
Dehydration of Ethanol to Ethylene
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July 2013 |
Investigation into the shape selectivity of zeolite catalysts for biomass conversion
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April 2011 |
Heteropolyacid supported on montmorillonite catalyst for dehydration of dilute bio-ethanol
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August 2011 |
Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
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September 2007 |
Production of Ethylene from Hydrous Ethanol on H-ZSM-5 under Mild Conditions
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November 1997 |
Dehydration of isopropyl alcohol used as an indicator of the type and strength of catalyst acid centres
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October 2005 |
Ethanol conversion over ion-exchanged ZSM-5 zeolites
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March 1990 |
Catalytic activity of Brønsted acid sites in zeolites: Intrinsic activity, rate-limiting step, and influence of the local structure of the acid sites
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December 2006 |
Conversion of ethanol on HZSM-5 modified zeolite, according to data from in situ spectrokinetic studies
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May 2013 |
Implications of Transition State Confinement within Small Voids for Acid Catalysis
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July 2014 |
Dehydration of ethanol over zeolites, silica alumina and alumina: Lewis acidity, Brønsted acidity and confinement effects
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March 2015 |
Furan Production from Glycoaldehyde over HZSM-5
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April 2016 |
DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
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July 2016 |
Effect of Fe-loading and reaction temperature on the production of olefins from ethanol by Fe/H-ZSM-5 zeolite catalysts
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June 2009 |
The effects of local structural relaxation on aluminum siting within H-ZSM-5
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January 1991 |
Transformation of ethanol into hydrocarbons on ZSM-5 zeolites modified with iron in different ways
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July 2008 |
Transformation of Oxygenate Components of Biomass Pyrolysis Oil on a HZSM-5 Zeolite. I. Alcohols and Phenols
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May 2004 |
Theoretical Study of the Adsorption of the Butanol Isomers in H-ZSM-5
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April 2011 |
High-resolution X-ray luminescence extension imaging
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February 2021 |
Energy production from biomass (part 1): overview of biomass
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May 2002 |
Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids
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March 2010 |