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A combined periodic DFT and QM/MM approach to understand the radical mechanism of the catalytic production of methanol from glycerol.
Sainna, Mala A; Nanavati, Sachin; Black, Constance; Smith, Louise; Mugford, Karl; Jenkins, Harry; Douthwaite, Mark; Dummer, Nicholas F; Catlow, C Richard A; Hutchings, Graham J; Taylor, Stuart H; Logsdail, Andrew J; Willock, David J.
Afiliación
  • Sainna MA; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Nanavati S; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Black C; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Smith L; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Mugford K; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Jenkins H; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Douthwaite M; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Dummer NF; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Catlow CRA; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Hutchings GJ; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Taylor SH; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Logsdail AJ; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
  • Willock DJ; Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Cardiff, CF10 3AT, UK. logsdailaj@cardiff.ac.uk willockdj@cardiff.ac.uk.
Faraday Discuss ; 229: 108-130, 2021 05 01.
Article en En | MEDLINE | ID: mdl-33650598
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Faraday Discuss Asunto de la revista: QUIMICA Año: 2021 Tipo del documento: Article Pais de publicación: Reino Unido
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Faraday Discuss Asunto de la revista: QUIMICA Año: 2021 Tipo del documento: Article Pais de publicación: Reino Unido