Inorganic Solid Acids and Their Use in Acid-Catalyzed Hydrocarbon Reactions
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May 1995 |
Inorganic molecular sieves: Preparation, modification and industrial application in catalytic processes
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July 2011 |
Industrial application of solid acid–base catalysts
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May 1999 |
Impact of Zeolites on the Petroleum and Petrochemical Industry
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May 2009 |
Liquid-Phase Catalytic Processing of Biomass-Derived Oxygenated Hydrocarbons to Fuels and Chemicals
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September 2007 |
Characterization of acid-base catalysts through model reactions
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March 2018 |
A novel effect of shape selectivity: Molecular traffic control in zeolite ZSM-5
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October 1980 |
Catalysis by Heteropoly Compounds .XXII. Reactions of Esters and Esterification Catalyzed by Heteropolyacids in a Homogeneous Liquid-Phase Effects of the Central Atom of Heteropolyanions Having Tungsten as the Addenda Atom
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October 1993 |
Zeolite acid strength and reaction mechanisms in catalysis
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January 2002 |
Consequences of Acid Strength for Isomerization and Elimination Catalysis on Solid Acids
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May 2009 |
Catalytic consequences of acid strength in the conversion of methanol to dimethyl ether
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February 2011 |
Mechanistic interpretation of the effects of acid strength on alkane isomerization turnover rates and selectivity
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November 2014 |
The catalytic diversity of zeolites: confinement and solvation effects within voids of molecular dimensions
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January 2013 |
Acid strength and solvation in catalysis by MFI zeolites and effects of the identity, concentration and location of framework heteroatoms
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April 2014 |
Computationally Exploring Confinement Effects in the Methane-to-Methanol Conversion Over Iron-Oxo Centers in Zeolites
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November 2016 |
Microcalorimetric study of the acidity and basicity of metal oxide surfaces
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August 1990 |
Relationship between Differential Heats of Adsorption and Brønsted Acid Strengths of Acidic Zeolites: H-ZSM-5 and H-Mordenite
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January 1996 |
Factors Controlling the Acidity of Zeolites
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December 2014 |
Characterization of acid catalysts by means of model reactions
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May 1990 |
DFT studies on the location and acid strength of Brönsted acid sites in MCM-22 zeolite
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February 2006 |
Comparison of the Acidic Properties of H-[Al]ZSM-5, H-[Fe]ZSM-5, and H-[Ga]ZSM-5 Using Microcalorimetry, Hexane Cracking, and Propene Oligomerization
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journal
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May 1995 |
What do we know about the acidity of solid acids?
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January 1999 |
Quantum-chemistry of zeolite acidity
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November 1997 |
The nature of adsorbed carbenium ions as active intermediates in catalysis by solid acids
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December 1991 |
Quantum chemical study of the electronic structure and geometry of surface alkoxy groups as probable active intermediates of heterogeneous acidic catalysts: What are the adsorbed carbenium ions?
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September 1989 |
The Acidity of Zeolites: Concepts, Measurements and Relation to Catalysis: A Review on Experimental and Theoretical Methods for the Study of Zeolite Acidity
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October 2013 |
The influence of oxonium ion and carbenium ion stabilities on the Alcohol/H-ZSM-5 interaction*1
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April 1986 |
Ionic and Covalent Stabilization of Intermediates and Transition States in Catalysis by Solid Acids
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October 2014 |
On the Role of the Pore Size and Tortuosity for Sorption of Alkanes in Molecular Sieves
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February 1997 |
State of the art and future challenges of zeolites as catalysts
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May 2003 |
Toward More Complete Descriptors of Reactivity in Catalysis by Solid Acids
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July 2016 |
Stability of bound species during alkene reactions on solid acids
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May 2017 |
Catalytic diversity conferred by confinement of protons within porous aluminosilicates in Prins condensation reactions
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August 2017 |
Effects of Void Environment and Acid Strength on Alkene Oligomerization Selectivity
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journal
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September 2016 |
Effects of Charge, Size, and Shape of Transition States, Bound Intermediates, and Confining Voids in Reactions of Alkenes on Solid Acids
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August 2018 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Mechanistic Details and Reactivity Descriptors in Oxidation and Acid Catalysis of Methanol
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December 2014 |
Gas-Phase Acidities of Some Neutral Brønsted Superacids: A DFT and ab Initio Study
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May 2000 |
The Strength of Brønsted Acid Sites in Microporous Aluminosilicates
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August 2015 |
Acidity Differences between Inorganic Solids Induced by Their Framework Structure. A Combined Quantum Mechanics/Molecular Mechanics ab Initio Study on Zeolites
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February 1998 |
Correlating Acid Properties and Catalytic Function: A First-Principles Analysis of Alcohol Dehydration Pathways on Polyoxometalates
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January 2009 |
Functional assessment of the strength of solid acid catalysts
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May 2009 |
A SERIES OF SIMPLE BASIC INDICATORS. I. THE ACIDITY FUNCTIONS OF MIXTURES OF SULFURIC AND PERCHLORIC ACIDS WITH WATER 1
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July 1932 |
Periodic boundary conditions in ab initio calculations
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February 1995 |
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
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December 1992 |
Periodic DFT investigation of the effect of aluminium content on the properties of the acid zeolite H-FER
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January 2010 |
Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
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January 2009 |
Consistent treatment of charged systems within periodic boundary conditions: The projector augmented-wave and pseudopotential methods revisited
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January 2014 |
Combining quantum mechanics and interatomic potential functions inab initio studies of extended systems
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January 2000 |
Predicting Absolute and Site Specific Acidities for Zeolite Catalysts by a Combined Quantum Mechanics/Interatomic Potential Function Approach †
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November 1997 |
Heterogeneity of Brønsted Acidic Sites in Faujasite Type Zeolites due to Aluminum Content and Framework Structure
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August 1998 |
Density-functional theory characterization of acid sites in chabazite
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October 2004 |
Acid strength of zeolitic Brønsted sites—Dependence on dielectric properties
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February 2019 |
A density functional theory study of the alkylation of isobutane with butene over phosphotungstic acid
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November 2006 |
Predicting the Proton Affinities of H 2 O and NH 3
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April 1998 |
The n -Butonium Cation ( n -C 4 H 11 + ): The Potential Energy Surface of Protonated n -Butane
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July 2000 |
Protonated Isobutane. A Theoretical ab Initio Study of the Isobutonium Cations
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June 1997 |
Potential Energy Surface of the C 3 H 9 + Cations. Protonated Propane
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April 1998 |
A perspective on catalysis in solid acids
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July 2019 |
Calorimetric Study of Alcohol and Nitrile Adsorption Complexes in H-ZSM-5
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May 1997 |
Density Functional Theory Study of Proton Mobility in Zeolites: Proton Migration and Hydrogen Exchange in ZSM-5
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journal
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August 2000 |
Isolation of the Copper Redox Steps in the Standard Selective Catalytic Reduction on Cu-SSZ-13
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September 2014 |
Kinetic and Theoretical Insights into the Mechanism of Alkanol Dehydration on Solid Brønsted Acid Catalysts
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February 2016 |
Mechanistic origins of the high-pressure inhibition of methanol dehydration rates in small-pore acidic zeolites
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December 2019 |
DFT Study of the Isomerization of Hexyl Species Involved in the Acid-Catalyzed Conversion of 2-Methyl-Pentene-2
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January 1999 |
Kinetic, Spectroscopic, and Theoretical Assessment of Associative and Dissociative Methanol Dehydration Routes in Zeolites
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September 2014 |
Acid strength and metal-acid proximity effects on methylcyclohexane ring contraction turnover rates and selectivities
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December 2016 |
Isomerization and β-scission reactions of alkanes on bifunctional metal-acid catalysts: Consequences of confinement and diffusional constraints on reactivity and selectivity
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December 2018 |
Consequences of Acid Strength and Diffusional Constraints for Alkane Isomerization and β-Scission Turnover Rates and Selectivities on Bifunctional Metal-Acid Catalysts
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October 2018 |
Mechanism of Isobutanal–Isobutene Prins Condensation Reactions on Solid Brønsted Acids
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October 2016 |
Selective conversion of acetone to isobutene and acetic acid on aluminosilicates: Kinetic coupling between acid-catalyzed and radical-mediated pathways
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April 2018 |
Elucidating the hard/soft acid/base principle: A perspective based on half-reactions
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May 2006 |
Absolute hardness: companion parameter to absolute electronegativity
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December 1983 |
Reactivity Theory of Zeolitic Broensted Acidic Sites
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May 1995 |
Struktur und Deformation der Elektronenh�llen in ihrer Bedeutung f�r die chemischen und optischen Eigenschaften anorganischer Verbindungen
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March 1923 |
Some uses of the polar molecule concept in elementary chemistry
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March 1936 |
Forces in Molecules
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August 1939 |
Determination of noncovalent interaction energies from electronic densities
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May 2004 |
Pauli Repulsions Exist Only in the Eye of the Beholder
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March 2006 |
Calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioning
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May 2004 |
The confinement effect in zeolites
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June 2009 |
Implications of Transition State Confinement within Small Voids for Acid Catalysis
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July 2014 |
Conceptual DFT: the chemical relevance of higher response functions
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January 2008 |
A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron Affinities
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November 1934 |
A scale of electronegativity based on electrostatic force
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January 1958 |
Hard and Soft Acids and Bases
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November 1963 |
Classical Electrostatics for Biomolecular Simulations
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August 2013 |
Substituent Effects and Molecular Descriptors of Reactivity in Condensation and Esterification Reactions of Oxygenates on Acid–Base Pairs at TiO 2 and ZrO 2 Surfaces
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journal
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September 2016 |
Influence of Dipole–Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on Pt(111)
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journal
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May 2012 |
The Roles of Entropy and Enthalpy in Stabilizing Ion-Pairs at Transition States in Zeolite Acid Catalysis
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August 2011 |
Benchmark First-Principles Calculations of Adsorbate Free Energies
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January 2018 |
Hindered Translator and Hindered Rotor Models for Adsorbates: Partition Functions and Entropies
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April 2016 |
Enthalpies and Entropies of Adsorption on Well-Defined Oxide Surfaces: Experimental Measurements
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December 2012 |
Methanol Oxidative Dehydrogenation on Oxide Catalysts: Molecular and Dissociative Routes and Hydrogen Addition Energies as Descriptors of Reactivity
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November 2014 |
A Universal Descriptor for the Entropy of Adsorbed Molecules in Confined Spaces
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September 2018 |