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Accurate crystal structures and chemical properties from NoSpherA2

Kleemiss, Florian ; Dolomanov, Oleg V. ; Bodensteiner, Michael ; Peyerimhoff, Norbert ; Midgley, Laura ; Bourhis, Luc J. ; Genoni, Alessandro ; Malaspina, Lorraine A. ; Jayatilaka, Dylan ; Spencer, John L. ; White, Fraser ; Grundkötter-Stock, Bernhard ; Steinhauer, Simon ; Lentz, Dieter ; Puschmann, Horst ; Grabowsky, Simon



Abstract

The relationship between the structure and the properties of a drug or material is a key concept of chemistry. Knowledge of the three-dimensional structure is considered to be of such importance that almost every report of a new chemical compound is accompanied by an X-ray crystal structure - at least since the 1970s when diffraction equipment became widely available. Crystallographic software of ...

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