• EMMC Software and Modelling Questionnaire 

  Todorov, Ilian (2021-06-15)

  EMMC Software and Modelling Questionnaire and associated analisys and graphs

• Data supporting the publication: "Assignment of the vibrational spectra of diiron nonacarbonyl, Fe2(CO)9" 

  Parker, Stewart (2022-03)

  Infrared, Raman and INS spectra of Fe2(CO)9 and computational studies using Gaussian09 and CASTEP (v20). All data is present as ASCII. The vibrational spectra may be visualised using any standard program e.g. Excel or Origin.

• Data supporting the publication: "How Many Molecules Can Fit in a Zeolite Pore? Implications for the Hydrocarbon Pool Mechanism of the Methanol-to-Hydrocarbons Process" 

  Parker, Stewart; Kombanal, Aleena (2021-10)

  The dataset consists of an Excel spreadsheet containing two pages. The first page lists the molecules, the volume of the unit cell, the number of molecules in the unit cell and the volume per molecule, together with the ...

• Data supporting the publication: "Structure and spectroscopy of methionyl-methionine for aquaculture" 

  Parker, Stewart; Funnel, Nicholas; Shankland, Kenneth; Kabova, Elena; Häußner, Thomas; Hasselbach, Hans-Joachim; Braune, Sascha; Kobler, Christoph; Albers, Peter (2020)

  This dataset provides the data that forms the basis of the publication: "Structure and spectroscopy of methionyl-methionine for aquaculture" (S.F. Parker, N.P. Funnell, K. Shankland, E. Kabova, T. Häußner, H.-J. Hasselbach, ...

• Data supporting the publication: "The impact of moderate heating on human bones: an infrared and neutron spectroscopy study" 

  Marques, Maria Paula; Batista de Carvalho, Luis; Gonçalves, David; Cunha, Eugénia; Parker, Stewart (2021)

  This dataset supports the publication: "The impact of moderate heating on human bones: an infrared and neutron spectroscopy study", (M.P.M. Marques, L. Batista de Carvalho, D.M. Gonçalves, E. Cunha and S.F. Parker, ...

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