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Aerobic oxidation of hydrocarbons in Mn-doped aluminophosphates: a computational perspective to understand mechanism and selectivity

Cora, F; Gomez-Hortigueela, L; Catlow, CRA; (2012) Aerobic oxidation of hydrocarbons in Mn-doped aluminophosphates: a computational perspective to understand mechanism and selectivity. PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES , 468 (2143) 2053 - 2069. 10.1098/rspa.2012.0046.

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Type:Article
Title:Aerobic oxidation of hydrocarbons in Mn-doped aluminophosphates: a computational perspective to understand mechanism and selectivity
DOI:10.1098/rspa.2012.0046
Keywords:catalysis, modelling, oxidation, alkanes, zeolites, selectivity
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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