School of Chemistry: Recent submissions
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E_File_5 akamptisomerisation associated vibrational mode.zip
Published 2018Archive file containing three different formats of the same animation. Animation of the vibrational normal mode associated with the akamptisomerisation reaction of a transoid B2OF2pqx stereoisomer. See Thesis chapter 4 ...Open AccessAudiovisual -
E_File_11 - Ch6 species.zip
Published 2022-11-04Zip archive folder containing the Fortran source code and PC executable for generating families, genera, and species for the Dmh site symmetric 𝒮𝑚ℬ𝑛 partitioning approach to the Polytope Formalism of constitutional ...Open AccessDataset -
E_File_13 - S4B2_genera{1-28}_all.zip
Published 2022-11-04Zip archive folder of the D4h site symmetric 𝒮4ℬ2 partitioned, full 1st order and 2nd-order motions graph output from the Mathematica1 graphing software in E_File_12.Open AccessOther -
E_File_8 - Chapter 4 DFT optimised coordinates.zip
Published 2018Zip archive folder of all Density-Functional Theory optimised molecular structures (Cartesian coordinates) reported in Thesis Chapter 4.Open AccessDataset -
E_File_2 four transoid B2OF2pqx isomers.zip
Published 2018Archive file containing three different formats of the same animation. Animation of the four transoid B2OF2pqx stereoisomers rotating in space to illustrate the structural differences. See Thesis chapter 4 for details.Open AccessAudiovisual