Data Quality Bench-Marking for High Resolution Bragg Data
von Hilke Wolf
Datum der mündl. Prüfung:2014-12-15
Erschienen:2015-03-05
Betreuer:Prof. Dr. Dietmar Stalke
Gutachter:Prof. Dr. Dietmar Stalke
Gutachter:Prof. Dr. Bo Brummersted Iversen
Gutachter:Prof. Dr. Franc Meyer
Gutachter:Dr. Heidrun Sowa
Gutachter:Dr. Francesca Fabbiani
Gutachter:Prof. Dr. Thomas Waitz
Dateien
Name:Dissertation_Hilke_Wolf2.pdf
Size:7.37Mb
Format:PDF
Zusammenfassung
Englisch
The thesis deals with data quality bench-marking for high resolution Bragg data. It compares and evaluates Bragg data from various radiation sources and different detection types. Two different small molecules containing light atoms are used as bench mark systems. Additionally, the phase transition of [2,2]-Paracyclophane is characterized and two different space groups have been established unequivocally.
Keywords: Bragg Data; Charge Density; Paracyclophane; TCNQ; Data Quality