Dataset supporting a University of Southampton Doctoral thesis: Understanding and controlling organic solid-state switches by combining variable temperature and high-pressure crystallography measurements with quantum mechanics studies

Abstract

This dataset is supporting theDoctoral thesis: Understanding and controlling organic solid-state switches by combining variable temperature and high-pressure crystallography measurements with quantum mechanics studies by Goulielmina Anyfanti. The data is sorted into 5 different folders reflecting the number of materials studies. Each folder contains: 1)Single Crystal X-Ray diffraction Variable Temperature DATA(NameMaterial_SCXRD_VT) 2)Single Crystal X-Ray diffraction High Pressure DATA(NameMaterial_SCXRD_HP) 3)Energy studies DATA (CrystalExpl, Pixel, etc...) 4)EXCELL file for the experimental conditions 5)EXCELL file for energetic studies conditions - DL-norlecine, DL-methionine, DL- Selenomethionine folders contain also: -Powder X-Ray diffraction High Pressure DATA (NameMaterial_PWXRD_HP) -Equation of State DATA (NameMaterial_EoS) All of these files have been used as supporting information throughout the whole thesis.

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