9: The Use of Databases in the Study of Intermolecular Interactions
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Published:25 Oct 2017
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Special Collection: RSC eTextbook CollectionProduct Type: Textbooks
A. Bacchi, in Intermolecular Interactions in Crystals: Fundamentals of Crystal Engineering, ed. J. J. Novoa, The Royal Society of Chemistry, 2017, pp. 350-373.
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Crystallographic databases are precious in many aspects for solid state chemists. In this contribution the most relevant crystallographic databases are briefly described and their use exemplified in addressing some problems relevant to the study of intermolecular interactions. A section summarizes statistical methods involved in expert use of databases. Knowledge-based applications are also outlined. A survey of relevant examples of the use of databases is presented, especially focussed on the investigation of intermolecular interactions. These certainly do not cover exhaustively the vast literature on the subject, but have been chosen both for their historical value and because they illustrate well the methods of data mining and elaboration of results.