Research graph
References from Probing Ethanol Dehydration with Silicon-Doped Aluminophosphates under Realistic Working Conditions Using Inelastic Neutron Scattering and Infrared Measurements. Local targets link to admitted publications; unresolved targets remain external evidence.
Shaping the future of green methanol
10.1016/j.checat.2025.101515 · 2025 · External reference
A Review of Green Methanol Production: Technologies, Economic Evaluation, and Carbon Emission Analysis
10.1021/acs.energyfuels.5c03278 · 2025 · External reference
Global production potential of green methanol based on variable renewable electricity
10.1039/d3ee02951d · 2024 · External reference
Nonenzymatic ethanol production in sustainable ways
10.1039/d4gc01584c · 2024 · External reference
Greener and sustainable production of bioethylene from bioethanol: current status, opportunities and perspectives
10.1515/revce-2019-0026 · 2022 · External reference
Energy Requirements for Sustainable Olefin Production From CO2 via Electro- or Thermal Catalysis
10.1002/ceat.70034 · 2025 · External reference
CO2 Hydrogenation to Methanol over In2O3-Based Catalysts: From Mechanism to Catalyst Development
10.1021/acscatal.0c03665 · 2021 · External reference
A Ce-CuZn catalyst with abundant Cu/Zn-O(V)-Ce active sites for CO2 hydrogenation to methanol
10.1038/s41467-024-46513-3 · 2024 · External reference
Zinc oxide-modified mordenite as an effective catalyst for the dehydrogenation of (bio)ethanol to acetaldehyde
10.1039/d1se00091h · 2021 · External reference
Trend and Progress in Catalysis for Ethylene Production from Bioethanol Using ZSM-5
10.1021/acscatal.4c04162 · 2024 · External reference
A minireview on solid acid catalysts for dehydration of bioethanol to renewable ethylene: An update on catalysts development progress
10.1016/j.apcato.2024.206976 · 2024 · External reference
Enhanced bioethanol-to-ethylene performance over nanosized sheet-like M-SAPO-34 (M = Sr and K) catalysts
10.1016/j.micromeso.2022.111980 · 2022 · External reference
Optimization of separation and purification processes in diethyl ether production for improved efficiency and sustainability
10.1038/s41598-025-10516-x · 2025 · External reference
Development of a New Ternary Al2O3-HAP-Pd Catalyst for Diethyl Ether and Ethylene Production Using the Preferential Dehydration of Ethanol
10.1021/acsomega.1c02818 · 2021 · External reference
Upgrading Bioethanol to a High-Energy-Density Sustainable Fuel over a Novel Bimetallic Nanocomposite Catalyst
10.1021/acssuschemeng.5c08577 · 2025 · External reference
State-of-the-art advances in homogeneous molecular catalysis for the Guerbet upgrading of bio-ethanol to fuel-grade bio-butanol
10.1039/d4cc05931j · 2025 · External reference
Simultaneous co-Photocatalytic CO2 Reduction and Ethanol Oxidation towards Synergistic Acetaldehyde Synthesis
10.1002/ange.202218720 · 2023 · External reference
Life Cycle Assessment and Multiobjective Optimization for Steam Cracking Process in Ethylene Plant
10.1021/acsomega.2c00189 · 2022 · External reference
Ethylene production: process design, techno-economic and life-cycle assessments
10.1039/d3gc03858k · 2024 · External reference
Increased Ethylene Production by the Combination Technology of Targeted Catalytic Cracking to Olefins and Dehydration of Bioethanol Reaction
10.1021/acs.iecr.4c04659 · 2025 · External reference
Fine-Tuning Texture of Highly Acidic HZSM-5 Zeolite for Efficient Ethanol Dehydration
10.1002/cctc.202201387 · 2023 · External reference
Combining Theoretical and Experimental Methods to Probe Confinement within Microporous Solid Acid Catalysts for Alcohol Dehydration
10.1021/acscatal.3c00352 · 2023 · External reference
New mechanistic insights into the role of water in the dehydration of ethanol into ethylene over ZSM-5 catalysts at low temperature
10.1039/d2gc04437d · 2023 · External reference
Confinement effects and acid strength in zeolites
10.1038/s41467-021-22936-0 · 2021 · External reference
Zeolite confinement-catalyzed cleavage of C–O/C–C bonds in biomass
10.1039/d2gc01917e · 2022 · External reference
Confinement in a Zeolite and Zeolite Catalysis
10.1021/acs.accounts.1c00274 · 2021 · External reference
Tuning Al sites in Y-zeolite for selective production of ϒ-valerolactone from levulinic acid
10.1016/j.apcata.2023.119318 · 2023 · External reference
Aluminum distribution and active site locations in the structures of zeolite ZSM-5 catalysts
10.1126/science.ads7290 · 2025 · External reference
Factors Affecting the Generation and Catalytic Activity of Extra-Framework Aluminum Lewis Acid Sites in Aluminum-Exchanged Zeolites
10.1021/acscatal.3c04195 · 2024 · External reference
Industrial crude bioethanol dehydration to ethylene: Doping ZSM-5 to enhance selectivity and stability
10.1016/j.jece.2023.111803 · 2024 · External reference
Ethanol conversion to hydrocarbons over Sn-doped H-ZSM-5 zeolite catalysts
10.1016/j.micromeso.2024.113284 · 2024 · External reference
Role of Isolated Acid Sites and Influence of Pore Diameter in the Low-Temperature Dehydration of Ethanol
10.1021/cs501092b · 2014 · External reference
Combining catalysis and computational fluid dynamics towards improved process design for ethanol dehydration
10.1039/c8cy01564c · 2018 · External reference
Unraveling the Homologation Reaction Sequence of the Zeolite-Catalyzed Ethanol-to-Hydrocarbons Process
10.1002/anie.201814268 · 2019 · External reference
Desilicated ZSM-5 Catalysts: Properties and Ethanol to Aromatics (ETA) Performance
10.1002/cctc.202300716 · 2023 · External reference
Effect of Pore Connectivity of Pore-Opened Hierarchical MOR Zeolites on Catalytic Behaviors and Coke Formation in Ethanol Dehydration
10.1021/acsami.0c19780 · 2021 · External reference
Binder-free hierarchical zeolite pellets and monoliths derived from ZSM-5@LDHs composites for bioethanol dehydration to ethylene
10.1039/d2cc02200a · 2022 · External reference
An Al-sol gelation strategy for the synthesis of robust hierarchical SAPO-34 with enhanced ethylene selectivity
10.1016/j.micromeso.2022.112181 · 2022 · External reference
Down the Microporous Rabbit Hole of Silicoaluminophosphates: Recent Developments on Synthesis, Characterization, and Catalytic Applications
10.1021/acscatal.0c02278 · 2020 · External reference
IR Operando Study of Ethanol Dehydration over MFI Zeolites: Structure–Activity Relationships
10.1021/acs.jpcc.8b05697 · 2018 · External reference
Spectroscopic investigation into the design of solid-acid catalysts for the low temperature dehydration of ethanol
10.1039/c6cp01209d · 2016 · External reference
Effects of zeolite frameworks and hierarchical structures on catalytic bioethanol dehydration: In-situ DRIFTS and DFT studies
10.1016/j.fuel.2022.127208 · 2023 · External reference
An ethoxy intermediate in ethanol dehydration on Bronsted acid sites in zeolite
10.1021/jp050721q · 2005 · External reference
Ethanol dehydration in HZSM-5 studied by density functional theory: evidence for a concerted process
10.1021/jp513024z · 2015 · External reference
Monomolecular Dehydration of Ethanol into Ethylene over H-MOR Studied by Density Functional Theory
10.1021/acsomega.9b03984 · 2020 · External reference
DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
10.1016/j.jcat.2016.04.020 · 2016 · External reference
Assignment of IR spectra of ethanol at Bronsted sites of H-ZSM-5 to monomer adsorption using a Fermi resonance model
10.1039/d4cp03861d · 2024 · External reference
Methanol, ethanol, propanol, and butanol adsorption on H-ZSM-5 zeolite: an ONIOM study
10.1007/s00894-018-3894-2 · 2019 · External reference
Ab initio study of methanol and ethanol adsorption on Bronsted sites in zeolite H-MFI
10.1039/c8cp03632b · 2018 · External reference
Experimental and theoretical IR study of methanol and ethanol conversion over H-SAPO-34
10.1016/j.cattod.2011.05.040 · 2011 · External reference
Neutron scattering studies of the methanol-to-hydrocarbons reaction
10.1039/d2cy02154d · 2023 · External reference
Investigations of Hydrocarbon Species on Solid Catalysts by Inelastic Neutron Scattering
10.1007/s11244-020-01389-7 · 2020 · External reference
Carbonylation of dimethyl ether in mordenite using Inelastic Neutron Scattering
10.1016/j.micromeso.2023.112850 · 2024 · External reference
Neutron Insights into Sorption Enhanced Methanol Catalysis
10.1007/s11244-021-01461-w · 2021 · External reference
A multi-faceted structural, thermodynamic, and spectroscopic approach for investigating ethanol dehydration over transition phase aluminas
10.1039/d2cp04016f · 2022 · External reference
The TOSCA incoherent inelastic neutron spectrometer: progress and results
10.1016/s0921-4526(99)01258-2 · 2000 · External reference
The neutron guide upgrade of the TOSCA spectrometer
10.1016/j.nima.2018.04.009 · 2018 · External reference
Neutron Scattering Studies of Heterogeneous Catalysis
10.1021/acs.chemrev.3c00101 · 2023 · External reference
TOSCA
10.5286/isis.instrument.2527 · 2026 · External reference
Exploring the formation of ethoxy species in microporous solid-acid catalysts
10.5286/isis.e.rb2220187 · 2022 · External reference
Sample environment issues relevant to the acquisition of inelastic neutron scattering measurements of heterogeneous catalyst samples
10.1088/1742-6596/554/1/012005 · 2014 · External reference
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
10.1103/physrevb.54.11169 · 1996 · External reference
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
10.1016/0927-0256(96)00008-0 · 1996 · External reference
Generalized Gradient Approximation Made Simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
10.1103/physrevlett.78.1396 · 1997 · External reference
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
10.1063/1.3382344 · 2010 · External reference
Formaldehyde formation and its impact on the MTO initiation investigated with ab initio molecular dynamics simulations
10.1016/j.jcat.2026.116817 · 2026 · External reference
Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations
10.1021/acscatal.3c01945 · 2023 · External reference
Unresolved reference
2025 · External reference
Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments
10.1016/j.nima.2014.07.029 · 2014 · External reference
AbINS: The modern software for INS interpretation
10.1016/j.physb.2018.02.034 · 2018 · External reference
The atomic simulation environment-a Python library for working with atoms
10.1088/1361-648x/aa680e · 2017 · External reference
Modeling of Silicon Substitution in SAPO-5 and SAPO-34 Molecular Sieves
10.1021/jp963736k · 1997 · External reference
Ethanol
2017 · External reference
Investigation of dynamic glass transitions and structural transformations in cryovacuum condensates of ethanol
10.1063/1.3114588 · 2009 · External reference
Torsional vibrations and barriers to internal rotation for ethanol and 2,2,2-trifluoroethanol
10.1016/0022-2860(90)85015-b · 1990 · External reference
In-situ characterisation of the surface intermediates for the ethanol dehydration reaction over γ-alumina under dynamic conditions
10.1016/s0926-860x(98)00109-4 · 1998 · External reference
Inelastic neutron scattering study of water in hydrated LTA-type zeolites
10.1021/jp054253w · 2006 · External reference
Inelastic neutron scattering by water adsorbed on silica
10.1016/0021-9797(81)90085-0 · 1981 · External reference
Room temperature methoxylation in zeolite H-ZSM-5: an operando DRIFTS/mass spectrometric study
10.1039/c8cc07444e · 2018 · External reference
Diethyl ether cracking and ethanol dehydration: Acid catalysis and reaction paths
10.1016/j.cej.2015.03.008 · 2015 · External reference
Bioethanol conversion into hydrocarbons on HZSM-5 and HMCM-22 zeolites: Use of in situ DRIFTS to elucidate the role of the acidity and of the pore structure over the coke formation and product distribution
10.1016/j.cattod.2014.03.023 · 2014 · External reference
A Spectroscopic Paradox: The Interaction of Methanol with ZSM-5 at Room Temperature
10.1007/s11244-021-01462-9 · 2021 · External reference
Simultaneous co-Photocatalytic CO2 Reduction and Ethanol Oxidation towards Synergistic Acetaldehyde Synthesis
10.1002/ange.202218720 · ExternalCitation · doi-reference
Unraveling the Homologation Reaction Sequence of the Zeolite-Catalyzed Ethanol-to-Hydrocarbons Process
10.1002/anie.201814268 · ExternalCitation · doi-reference
Fine-Tuning Texture of Highly Acidic HZSM-5 Zeolite for Efficient Ethanol Dehydration
10.1002/cctc.202201387 · ExternalCitation · doi-reference
Desilicated ZSM-5 Catalysts: Properties and Ethanol to Aromatics (ETA) Performance
10.1002/cctc.202300716 · ExternalCitation · doi-reference
Energy Requirements for Sustainable Olefin Production From CO2 via Electro- or Thermal Catalysis
10.1002/ceat.70034 · ExternalCitation · doi-reference
Methanol, ethanol, propanol, and butanol adsorption on H-ZSM-5 zeolite: an ONIOM study
10.1007/s00894-018-3894-2 · ExternalCitation · doi-reference
Investigations of Hydrocarbon Species on Solid Catalysts by Inelastic Neutron Scattering
10.1007/s11244-020-01389-7 · ExternalCitation · doi-reference
Neutron Insights into Sorption Enhanced Methanol Catalysis
10.1007/s11244-021-01461-w · ExternalCitation · doi-reference
A Spectroscopic Paradox: The Interaction of Methanol with ZSM-5 at Room Temperature
10.1007/s11244-021-01462-9 · ExternalCitation · doi-reference
Inelastic neutron scattering by water adsorbed on silica
10.1016/0021-9797(81)90085-0 · ExternalCitation · doi-reference
Torsional vibrations and barriers to internal rotation for ethanol and 2,2,2-trifluoroethanol
10.1016/0022-2860(90)85015-b · ExternalCitation · doi-reference
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
10.1016/0927-0256(96)00008-0 · ExternalCitation · doi-reference
Tuning Al sites in Y-zeolite for selective production of ϒ-valerolactone from levulinic acid
10.1016/j.apcata.2023.119318 · ExternalCitation · doi-reference
A minireview on solid acid catalysts for dehydration of bioethanol to renewable ethylene: An update on catalysts development progress
10.1016/j.apcato.2024.206976 · ExternalCitation · doi-reference
Experimental and theoretical IR study of methanol and ethanol conversion over H-SAPO-34
10.1016/j.cattod.2011.05.040 · ExternalCitation · doi-reference
Bioethanol conversion into hydrocarbons on HZSM-5 and HMCM-22 zeolites: Use of in situ DRIFTS to elucidate the role of the acidity and of the pore structure over the coke formation and product distribution
10.1016/j.cattod.2014.03.023 · ExternalCitation · doi-reference
Diethyl ether cracking and ethanol dehydration: Acid catalysis and reaction paths
10.1016/j.cej.2015.03.008 · ExternalCitation · doi-reference
Shaping the future of green methanol
10.1016/j.checat.2025.101515 · ExternalCitation · doi-reference
Effects of zeolite frameworks and hierarchical structures on catalytic bioethanol dehydration: In-situ DRIFTS and DFT studies
10.1016/j.fuel.2022.127208 · ExternalCitation · doi-reference
DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
10.1016/j.jcat.2016.04.020 · ExternalCitation · doi-reference
Formaldehyde formation and its impact on the MTO initiation investigated with ab initio molecular dynamics simulations
10.1016/j.jcat.2026.116817 · ExternalCitation · doi-reference
Industrial crude bioethanol dehydration to ethylene: Doping ZSM-5 to enhance selectivity and stability
10.1016/j.jece.2023.111803 · ExternalCitation · doi-reference
Enhanced bioethanol-to-ethylene performance over nanosized sheet-like M-SAPO-34 (M = Sr and K) catalysts
10.1016/j.micromeso.2022.111980 · ExternalCitation · doi-reference
An Al-sol gelation strategy for the synthesis of robust hierarchical SAPO-34 with enhanced ethylene selectivity
10.1016/j.micromeso.2022.112181 · ExternalCitation · doi-reference
Carbonylation of dimethyl ether in mordenite using Inelastic Neutron Scattering
10.1016/j.micromeso.2023.112850 · ExternalCitation · doi-reference
Ethanol conversion to hydrocarbons over Sn-doped H-ZSM-5 zeolite catalysts
10.1016/j.micromeso.2024.113284 · ExternalCitation · doi-reference
Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments
10.1016/j.nima.2014.07.029 · ExternalCitation · doi-reference
The neutron guide upgrade of the TOSCA spectrometer
10.1016/j.nima.2018.04.009 · ExternalCitation · doi-reference
AbINS: The modern software for INS interpretation
10.1016/j.physb.2018.02.034 · ExternalCitation · doi-reference
The TOSCA incoherent inelastic neutron spectrometer: progress and results
10.1016/s0921-4526(99)01258-2 · ExternalCitation · doi-reference
In-situ characterisation of the surface intermediates for the ethanol dehydration reaction over γ-alumina under dynamic conditions
10.1016/s0926-860x(98)00109-4 · ExternalCitation · doi-reference
Confinement in a Zeolite and Zeolite Catalysis
10.1021/acs.accounts.1c00274 · ExternalCitation · doi-reference
Neutron Scattering Studies of Heterogeneous Catalysis
10.1021/acs.chemrev.3c00101 · ExternalCitation · doi-reference
A Review of Green Methanol Production: Technologies, Economic Evaluation, and Carbon Emission Analysis
10.1021/acs.energyfuels.5c03278 · ExternalCitation · doi-reference
Increased Ethylene Production by the Combination Technology of Targeted Catalytic Cracking to Olefins and Dehydration of Bioethanol Reaction
10.1021/acs.iecr.4c04659 · ExternalCitation · doi-reference
IR Operando Study of Ethanol Dehydration over MFI Zeolites: Structure–Activity Relationships
10.1021/acs.jpcc.8b05697 · ExternalCitation · doi-reference
Effect of Pore Connectivity of Pore-Opened Hierarchical MOR Zeolites on Catalytic Behaviors and Coke Formation in Ethanol Dehydration
10.1021/acsami.0c19780 · ExternalCitation · doi-reference
Down the Microporous Rabbit Hole of Silicoaluminophosphates: Recent Developments on Synthesis, Characterization, and Catalytic Applications
10.1021/acscatal.0c02278 · ExternalCitation · doi-reference
CO2 Hydrogenation to Methanol over In2O3-Based Catalysts: From Mechanism to Catalyst Development
10.1021/acscatal.0c03665 · ExternalCitation · doi-reference
Combining Theoretical and Experimental Methods to Probe Confinement within Microporous Solid Acid Catalysts for Alcohol Dehydration
10.1021/acscatal.3c00352 · ExternalCitation · doi-reference
Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations
10.1021/acscatal.3c01945 · ExternalCitation · doi-reference
Factors Affecting the Generation and Catalytic Activity of Extra-Framework Aluminum Lewis Acid Sites in Aluminum-Exchanged Zeolites
10.1021/acscatal.3c04195 · ExternalCitation · doi-reference
Trend and Progress in Catalysis for Ethylene Production from Bioethanol Using ZSM-5
10.1021/acscatal.4c04162 · ExternalCitation · doi-reference
Development of a New Ternary Al2O3-HAP-Pd Catalyst for Diethyl Ether and Ethylene Production Using the Preferential Dehydration of Ethanol
10.1021/acsomega.1c02818 · ExternalCitation · doi-reference
Life Cycle Assessment and Multiobjective Optimization for Steam Cracking Process in Ethylene Plant
10.1021/acsomega.2c00189 · ExternalCitation · doi-reference
Monomolecular Dehydration of Ethanol into Ethylene over H-MOR Studied by Density Functional Theory
10.1021/acsomega.9b03984 · ExternalCitation · doi-reference
Upgrading Bioethanol to a High-Energy-Density Sustainable Fuel over a Novel Bimetallic Nanocomposite Catalyst
10.1021/acssuschemeng.5c08577 · ExternalCitation · doi-reference
Role of Isolated Acid Sites and Influence of Pore Diameter in the Low-Temperature Dehydration of Ethanol
10.1021/cs501092b · ExternalCitation · doi-reference
An ethoxy intermediate in ethanol dehydration on Bronsted acid sites in zeolite
10.1021/jp050721q · ExternalCitation · doi-reference
Inelastic neutron scattering study of water in hydrated LTA-type zeolites
10.1021/jp054253w · ExternalCitation · doi-reference
Ethanol dehydration in HZSM-5 studied by density functional theory: evidence for a concerted process
10.1021/jp513024z · ExternalCitation · doi-reference
Modeling of Silicon Substitution in SAPO-5 and SAPO-34 Molecular Sieves
10.1021/jp963736k · ExternalCitation · doi-reference
Confinement effects and acid strength in zeolites
10.1038/s41467-021-22936-0 · ExternalCitation · doi-reference
A Ce-CuZn catalyst with abundant Cu/Zn-O(V)-Ce active sites for CO2 hydrogenation to methanol
10.1038/s41467-024-46513-3 · ExternalCitation · doi-reference
Optimization of separation and purification processes in diethyl ether production for improved efficiency and sustainability
10.1038/s41598-025-10516-x · ExternalCitation · doi-reference
Spectroscopic investigation into the design of solid-acid catalysts for the low temperature dehydration of ethanol
10.1039/c6cp01209d · ExternalCitation · doi-reference
Room temperature methoxylation in zeolite H-ZSM-5: an operando DRIFTS/mass spectrometric study
10.1039/c8cc07444e · ExternalCitation · doi-reference
Ab initio study of methanol and ethanol adsorption on Bronsted sites in zeolite H-MFI
10.1039/c8cp03632b · ExternalCitation · doi-reference
Combining catalysis and computational fluid dynamics towards improved process design for ethanol dehydration
10.1039/c8cy01564c · ExternalCitation · doi-reference
Zinc oxide-modified mordenite as an effective catalyst for the dehydrogenation of (bio)ethanol to acetaldehyde
10.1039/d1se00091h · ExternalCitation · doi-reference
Binder-free hierarchical zeolite pellets and monoliths derived from ZSM-5@LDHs composites for bioethanol dehydration to ethylene
10.1039/d2cc02200a · ExternalCitation · doi-reference
A multi-faceted structural, thermodynamic, and spectroscopic approach for investigating ethanol dehydration over transition phase aluminas
10.1039/d2cp04016f · ExternalCitation · doi-reference
Neutron scattering studies of the methanol-to-hydrocarbons reaction
10.1039/d2cy02154d · ExternalCitation · doi-reference
Zeolite confinement-catalyzed cleavage of C–O/C–C bonds in biomass
10.1039/d2gc01917e · ExternalCitation · doi-reference
New mechanistic insights into the role of water in the dehydration of ethanol into ethylene over ZSM-5 catalysts at low temperature
10.1039/d2gc04437d · ExternalCitation · doi-reference
Global production potential of green methanol based on variable renewable electricity
10.1039/d3ee02951d · ExternalCitation · doi-reference
Ethylene production: process design, techno-economic and life-cycle assessments
10.1039/d3gc03858k · ExternalCitation · doi-reference
State-of-the-art advances in homogeneous molecular catalysis for the Guerbet upgrading of bio-ethanol to fuel-grade bio-butanol
10.1039/d4cc05931j · ExternalCitation · doi-reference
Assignment of IR spectra of ethanol at Bronsted sites of H-ZSM-5 to monomer adsorption using a Fermi resonance model
10.1039/d4cp03861d · ExternalCitation · doi-reference
Nonenzymatic ethanol production in sustainable ways
10.1039/d4gc01584c · ExternalCitation · doi-reference
Investigation of dynamic glass transitions and structural transformations in cryovacuum condensates of ethanol
10.1063/1.3114588 · ExternalCitation · doi-reference
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
10.1063/1.3382344 · ExternalCitation · doi-reference
The atomic simulation environment-a Python library for working with atoms
10.1088/1361-648x/aa680e · ExternalCitation · doi-reference
Sample environment issues relevant to the acquisition of inelastic neutron scattering measurements of heterogeneous catalyst samples
10.1088/1742-6596/554/1/012005 · ExternalCitation · doi-reference
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
10.1103/physrevb.54.11169 · ExternalCitation · doi-reference
Generalized Gradient Approximation Made Simple
10.1103/physrevlett.77.3865 · ExternalCitation · doi-reference
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
10.1103/physrevlett.78.1396 · ExternalCitation · doi-reference
Aluminum distribution and active site locations in the structures of zeolite ZSM-5 catalysts
10.1126/science.ads7290 · ExternalCitation · doi-reference
Greener and sustainable production of bioethylene from bioethanol: current status, opportunities and perspectives
10.1515/revce-2019-0026 · ExternalCitation · doi-reference
Exploring the formation of ethoxy species in microporous solid-acid catalysts
10.5286/isis.e.rb2220187 · ExternalCitation · doi-reference
TOSCA
10.5286/isis.instrument.2527 · ExternalCitation · doi-reference
