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1Academic Journal
المصدر: JACS Au, Vol 1, Iss 10, Pp 1778-1787 (2021)
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2691-3704
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2Academic Journal
المؤلفون: Reisel Millan (9634439), Pieter Cnudde (5758502), Veronique van Speybroeck (6847466), Mercedes Boronat (1355010)
مصطلحات موضوعية: Biochemistry, Evolutionary Biology, Ecology, Developmental Biology, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, sup >+, selective catalytic reduction, ring windows connecting, recent experimental observations, enhanced sampling techniques, describe hopping events, copper cations acting, nox reaction conditions, 3 , 2 , two adjacent cavities, one single cavity, cha catalysts varies, cu ( nh, cha catalysts, scr reaction, one cage, transport limitations, stable intermediates, simulations combined, significantly hindered, reacts spontaneously
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المؤلفون: Veronique Van Speybroeck, Magnus Mortén, Evgeniy Redekop, Unni Olsbye, Tomás Cordero-Lanzac, Pieter Cnudde, Stian Svelle
المصدر: JOURNAL OF CATALYSIS
مصطلحات موضوعية: REACTION-MECHANISM, TO-HYDROCARBONS REACTION, Technology and Engineering, INITIO MOLECULAR-DYNAMICS, Kinetics, DIMETHYL ETHER, Substituent, SCALING RELATIONS, Medicinal chemistry, Catalysis, Propene, Experimental, chemistry.chemical_compound, Physical and Theoretical Chemistry, Benzene, chemistry.chemical_classification, AlPO-5, Computational, HZSM-5 ZEOLITE, Reaction step, TOTAL-ENERGY CALCULATIONS, Methylation, REACTION PATHWAYS, GENERALIZED GRADIENT APPROXIMATION, MeAlPO-5, Acid strength, CO-REACTION, MTG, chemistry, MTO, MTH
وصف الملف: application/pdf
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المصدر: Comprehensive Inorganic Chemistry III ISBN: 9780128231531
Reference Module in Chemistry, Molecular Sciences and Chemical Engineeringمصطلحات موضوعية: Chemical engineering, Chemistry, Zeolite, Catalysis
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المؤلفون: Unni Olsbye, Michael Hunger, Silvia Bordiga, Natale G. Porcaro, Weili Dai, Pieter Cnudde, Evgeniy Redekop, Landong Li, Michel Waroquier, Veronique Van Speybroeck
المصدر: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Angewandte Chemie (International Ed. in English)
Angewandte Chemie International Editionمصطلحات موضوعية: acid sites, Diffusion, Infrared spectroscopy, zeolites, 010402 general chemistry, 01 natural sciences, Catalysis, Propene, chemistry.chemical_compound, diffusion, molecular dynamics, olefins, Zeolite, Research Articles, Olefin fiber, 010405 organic chemistry, Chemistry, General Medicine, General Chemistry, 3. Good health, 0104 chemical sciences, Zeolites | Hot Paper, Physical chemistry, Brønsted–Lowry acid–base theory, Temporal analysis of products, Research Article
وصف الملف: application/pdf
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المؤلفون: Veronique Van Speybroeck, Stefan A. F. Nastase, Kristof De Wispelaere, Louis Vanduyfhuys, C. Richard A. Catlow, Andrew J. Logsdail, Pieter Cnudde
المصدر: ACS Catalysis
ACS CATALYSISمصطلحات موضوعية: TO-HYDROCARBONS REACTION, Technology and Engineering, Induction period, DIMETHYL ETHER, 010402 general chemistry, PROTON, 01 natural sciences, Catalysis, metadynamics, H-Y, Molecular dynamics, chemistry.chemical_compound, METHOXYLATION, Computational chemistry, Dimethyl ether, zeolite, acidity, methanol-to-hydrocarbons, methanol, biology, ZEOLITES, 010405 organic chemistry, Metadynamics, Active site, General Chemistry, REACTIVITY, NMR, 0104 chemical sciences, CONVERSION, chemistry, biology.protein, Methanol, methylation, ZSM-5, Research Article
وصف الملف: application/pdf
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المؤلفون: Louis Vanduyfhuys, Karen Dedecker, Pieter Cnudde, Richard Hoogenboom, Bart Verbraeken, Saron Catak, Kristof Van Hecke, Veronique Van Speybroeck, Elias Van Den Broeck, Toon Verstraelen, Valentin Victor Jerca
المصدر: MACROMOLECULES
Macromoleculesمصطلحات موضوعية: Polymers and Plastics, PREDICTION, Radical polymerization, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Ring-opening polymerization, Inorganic Chemistry, DENSITY-FUNCTIONAL THEORY, RATE, Polymer chemistry, Materials Chemistry, Alkyl, chemistry.chemical_classification, SOLVENT, FREE-RADICAL POLYMERIZATION, PROPAGATION RATE, Organic Chemistry, Cation π, Cationic polymerization, 021001 nanoscience & nanotechnology, SIMULATIONS, 0104 chemical sciences, Solvent, POLY(2-OXAZOLINE)S, Chemistry, chemistry, Polymerization, Density functional theory, COMPLEXES, 0210 nano-technology, COEFFICIENTS
وصف الملف: application/pdf
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8
المؤلفون: Karen Dedecker, Pieter Cnudde, Simon Bailleul, Michel Waroquier, Louis Vanduyfhuys, Veronique Van Speybroeck
المصدر: Journal of Catalysis
JOURNAL OF CATALYSISمصطلحات موضوعية: REACTION-MECHANISM, Reaction mechanism, Enhanced sampling, TO-OLEFINS CONVERSION, Ab initio, HYDROCARBON FORMATION, Molecular dynamics, 010402 general chemistry, 01 natural sciences, Chemical reaction, DFT, Catalysis, Reaction rate, Chemical kinetics, Reaction rate constant, RATE CONSTANTS, Computational chemistry, ZEOLITE H-ZSM-5, Physical and Theoretical Chemistry, FREE-ENERGY CALCULATIONS, 010405 organic chemistry, Chemistry, Ethene methylation, 0104 chemical sciences, CO-REACTION, Physics and Astronomy, MOLECULAR-DYNAMICS, FORCE-FIELD, ZSM-5, CHEMICAL ACCURACY, Collective variables
وصف الملف: application/pdf
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9Light Olefin Diffusion during the MTO Process on H-SAPO-34: A Complex Interplay of Molecular Factors
المؤلفون: German Sastre, Veronique Van Speybroeck, Ruben Demuynck, Michel Waroquier, Pieter Cnudde, Steven Vandenbrande
المساهمون: European Research Council, Ministerio de Economía y Competitividad (España)
المصدر: Digital.CSIC. Repositorio Institucional del CSIC
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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Journal of the American Chemical Societyمصطلحات موضوعية: REACTION-MECHANISM, Supramolecular chemistry, NMR SELF-DIFFUSION, HYDROCARBON FORMATION, 010402 general chemistry, Photochemistry, 01 natural sciences, Biochemistry, Catalysis, Propene, chemistry.chemical_compound, Colloid and Surface Chemistry, SAPO-34, Diffusion (business), DEACTIVATION, chemistry.chemical_classification, Olefin fiber, ZEOLITES, Alkene, General Chemistry, 0104 chemical sciences, Chemistry, CONVERSION, Hydrocarbon, chemistry, 13. Climate action, HIGH-SILICA DDR, METHANOL, Aromatic hydrocarbon, COKE FORMATION
وصف الملف: application/pdf
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المؤلفون: Weili Dai, Michel Waroquier, Evgeniy Redekop, Unni Olsbye, Veronique Van Speybroeck, Natale G. Porcaro, Pieter Cnudde, Michael Hunger, Silvia Bordiga, Landong Li
المصدر: Angewandte Chemie. 133:9813-9813
مصطلحات موضوعية: Molecular dynamics, Chemical physics, Chemistry, General Medicine, Diffusion (business)
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المؤلفون: Jorge Gascon, Samy Ould-Chikh, Veronique Van Speybroeck, Mustafa Caglayan, Edy Abou-Hamad, Lieven Gevers, Adrian Ramirez, Irina Yarulina, Abhishek Dutta Chowdhury, Kristof De Wispelaere, Pieter Cnudde, Abhay Dokania
المصدر: ACS Catalysis
ACS CATALYSISمصطلحات موضوعية: Materials science, Technology and Engineering, INITIO MOLECULAR-DYNAMICS, zeolites, 010402 general chemistry, Fluid catalytic cracking, SPATIAL CONSTRAINTS, 01 natural sciences, CATALYTIC CRACKING, Catalysis, CARBON-DIOXIDE, HYDROGENATION, Zeolite, Topology (chemistry), Direct transformation, 010405 organic chemistry, TOTAL-ENERGY CALCULATIONS, aromatics, CO2 conversion, General Chemistry, COMPOSITE CATALYST, Science General, 0104 chemical sciences, Bifunctional catalyst, IRON CATALYSTS, SELECTIVE CONVERSION, Chemical engineering, olefins, bifunctional catalyst, HYDROCARBONS
وصف الملف: application/pdf
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المؤلفون: Louis Vanduyfhuys, Ruben Demuynck, Kristof De Wispelaere, Michel Waroquier, Pieter Cnudde, Jeroen Van der Mynsbrugge, Veronique Van Speybroeck
المصدر: ACS Catalysis
ACS CATALYSISمصطلحات موضوعية: C-13 MAS NMR, Technology and Engineering, INITIO MOLECULAR-DYNAMICS, chain length, 010402 general chemistry, Beta scission, Photochemistry, Fluid catalytic cracking, Branching (polymer chemistry), 01 natural sciences, AUGMENTED-WAVE METHOD, CATALYTIC CRACKING, Catalysis, Carbenium ion, chemistry.chemical_compound, LIGHT OLEFIN TRANSFORMATION, KINETIC-MODEL, H-ZSM-5, chemistry.chemical_classification, AB-INITIO, beta-scission, 010405 organic chemistry, Chemistry, Alkene, TOTAL-ENERGY CALCULATIONS, Cationic polymerization, General Chemistry, umbrella sampling, free energy, molecular dynamics, 0104 chemical sciences, Cracking, alkene cracking, 13. Climate action, N-BUTENE CONVERSION, CONTROLLED REACTION PATHWAYS, carbenium ion, Isomerization, β-scission, Research Article
وصف الملف: application/pdf
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المؤلفون: Veronique Van Speybroeck, J. Van der Mynsbrugge, Julianna Hajek, Michel Waroquier, Pieter Cnudde, K. De Wispelaere, Louis Vanduyfhuys
المصدر: JOURNAL OF CATALYSIS
Journal of Catalysisمصطلحات موضوعية: C-13 MAS NMR, INITIO MOLECULAR-DYNAMICS, 02 engineering and technology, Molecular dynamics, 010402 general chemistry, Photochemistry, 01 natural sciences, AUGMENTED-WAVE METHOD, CATALYTIC CRACKING, Catalysis, chemistry.chemical_compound, Carbenium ion, Adsorption, DOUBLE-BOND MIGRATION, Organic chemistry, Physical and Theoretical Chemistry, Zeolite, AB-INITIO, TOTAL-ENERGY CALCULATIONS, 021001 nanoscience & nanotechnology, TERT-BUTYL CATION, 0104 chemical sciences, OLEFINS PRODUCTION, Chemistry, chemistry, Pentene, Yield (chemistry), Alkoxide, N-BUTENE CONVERSION, Density functional theory, Zeolites, ZSM-5, 0210 nano-technology
وصف الملف: application/pdf
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المؤلفون: Pieter Cnudde, Michel Waroquier, Veronique Van Speybroeck, K. De Wispelaere, J. Van der Mynsbrugge
المصدر: JOURNAL OF CATALYSIS
Journal of Catalysisمصطلحات موضوعية: ZEOLITE CATALYSTS, C-13 MAS NMR, Technology and Engineering, INITIO MOLECULAR-DYNAMICS, Reactive intermediate, 02 engineering and technology, Molecular dynamics, 010402 general chemistry, Photochemistry, Fluid catalytic cracking, 01 natural sciences, AUGMENTED-WAVE METHOD, CATALYTIC CRACKING, Catalysis, Alkene adsorption, Carbenium ion, chemistry.chemical_compound, Organic chemistry, Physical and Theoretical Chemistry, Zeolite, CARBENIUM IONS, chemistry.chemical_classification, AB-INITIO, Chemistry, Alkene, TOTAL-ENERGY CALCULATIONS, Zeolite ZSM-5, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Cracking, ACIDIC ZEOLITE, Metadynamics, N-BUTENE CONVERSION, Density functional theory, ZSM-5, 0210 nano-technology
وصف الملف: application/pdf
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