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Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations.
Nastase, Stefan A F; Cnudde, Pieter; Vanduyfhuys, Louis; De Wispelaere, Kristof; Van Speybroeck, Veronique; Catlow, C Richard A; Logsdail, Andrew J.
Affiliation
  • Nastase SAF; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff CF10 3AT, U.K.
  • Cnudde P; Center for Molecular Modeling, Ghent University, Zwijnaarde, Ghent 9000, Belgium.
  • Vanduyfhuys L; Center for Molecular Modeling, Ghent University, Zwijnaarde, Ghent 9000, Belgium.
  • De Wispelaere K; Center for Molecular Modeling, Ghent University, Zwijnaarde, Ghent 9000, Belgium.
  • Van Speybroeck V; Center for Molecular Modeling, Ghent University, Zwijnaarde, Ghent 9000, Belgium.
  • Catlow CRA; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff CF10 3AT, U.K.
  • Logsdail AJ; Department of Chemistry, University College London, 20 Gordon Street, London WC1E 6BT, U.K.
ACS Catal ; 10(15): 8904-8915, 2020 Aug 07.
Article in En | MEDLINE | ID: mdl-32923027
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: ACS Catal Year: 2020 Type: Article Affiliation country: United kingdom
Fulltext
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: ACS Catal Year: 2020 Type: Article Affiliation country: United kingdom