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The Methyl Torsion in Unsaturated Compounds

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dc.contributor.authorZachariou, Andrea
dc.contributor.authorHawkins, Alexander P
dc.contributor.authorCollier, Paul
dc.contributor.authorHowe, Russell F
dc.contributor.authorLennon, David
dc.contributor.authorParker, Stewart F
dc.contributor.institutionUniversity of Aberdeen.Energyen
dc.contributor.institutionUniversity of Aberdeen.Chemistryen
dc.date.accessioned2020-04-15T14:35:01Z
dc.date.available2020-04-15T14:35:01Z
dc.date.issued2020-02-18
dc.descriptionThe STFC Rutherford Appleton Laboratory is thanked for funding and access to neutron beam facilities. Computing resources (time on the SCARF compute cluster for the CASTEP calculations) was provided by STFC’s e-Science facility. Dr John Tomkinson (ISIS) is thanked for generously providing the INS spectra of the toluene isotopomers. A.Z. and A.P.H. would like to thank Johnson Matthey plc. For financial support through the provision of industrial CASE studentships in partnership with the EPSRC. The UK Catalysis Hub is kindly thanked for resources and support provided via our membership of the UK Catalysis Hub Consortium and funded by EPSRC grant: EP/R026939/1, EP/R026815/1, EP/R026645/1, EP/R027129/1 or EP/M013219/1(biocatalysis).en
dc.description.statusPeer revieweden
dc.format.extent11
dc.format.extent2899623
dc.identifier161052089
dc.identifierea0a1ddd-105c-45c0-9dc4-cfcc035f6169
dc.identifier32095699
dc.identifier85079642596
dc.identifier.citationZachariou, A, Hawkins, A P, Collier, P, Howe, R F, Lennon, D & Parker, S F 2020, 'The Methyl Torsion in Unsaturated Compounds', ACS Omega, vol. 5, no. 6, pp. 2755-2765. https://doi.org/10.1021/acsomega.9b03351en
dc.identifier.doi10.1021/acsomega.9b03351
dc.identifier.iss6en
dc.identifier.issn2470-1343
dc.identifier.otherPubMedCentral: PMC7033956
dc.identifier.urihttps://hdl.handle.net/2164/14086
dc.identifier.urlhttp://www.scopus.com/inward/record.url?scp=85079642596&partnerID=8YFLogxKen
dc.identifier.vol5en
dc.language.isoeng
dc.relation.ispartofACS Omegaen
dc.subjectHydrocarbonsen
dc.subjectAromatic compoundsen
dc.subjectEnergyen
dc.subjectAlkyls Moleculesen
dc.subjectQD Chemistryen
dc.subjectGeneral Chemical Engineeringen
dc.subjectGeneral Chemistryen
dc.subjectEngineering and Physical Sciences Research Council (EPSRC)en
dc.subjectEP/R026939/1en
dc.subjectEP/R026815/1en
dc.subjectEP/R026645/1en
dc.subjectEP/R027129/1en
dc.subjectEP/M013219/1(biocatalysis)en
dc.subject.lccQDen
dc.titleThe Methyl Torsion in Unsaturated Compoundsen
dc.typeJournal articleen

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