Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI.
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A potential with low point charges for pure siliceous zeolites.A DFT investigation of the adsorption of iodine compounds and water in H-, Na-, Ag-, and Cu- mordenite.Conversion of CO2 and C2H6 to propanoic acid over a Au-exchanged MCM-22 zeolite.Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics.Simultaneous realization of high catalytic activity and stability for catalytic cracking of n-heptane on highly exposed (010) crystal planes of nanosheet ZSM-5 zeolite.How Chain Length and Branching Influence the Alkene Cracking Reactivity on H-ZSM-5
P2860
Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI.
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2012 nî lūn-bûn
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Ab initio simulations reveal t ...... racking of alkanes over H-MFI.
@en
Ab initio simulations reveal t ...... racking of alkanes over H-MFI.
@nl
type
label
Ab initio simulations reveal t ...... racking of alkanes over H-MFI.
@en
Ab initio simulations reveal t ...... racking of alkanes over H-MFI.
@nl
prefLabel
Ab initio simulations reveal t ...... racking of alkanes over H-MFI.
@en
Ab initio simulations reveal t ...... racking of alkanes over H-MFI.
@nl
P2093
P356
P1476
Ab initio simulations reveal t ...... racking of alkanes over H-MFI.
@en
P2093
Daniel S Lambrecht
Diana C Tranca
Joseph Gomes
Martin Head-Gordon
Paul M Zimmerman
P304
19468-19476
P356
10.1021/JA3089372
P407
P577
2012-11-15T00:00:00Z