Cambridge Crystallographic Data Centre, 40th Anniversary, 1965-2005 (CROSBI ID 507050)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Kojić-Prodić, Biserka ; Molčanov, Krešimir
engleski
Cambridge Crystallographic Data Centre, 40th Anniversary, 1965-2005
The seminal role of the Cambridge Crystallographic Database in crystallography, chemistry, material sciences, solid state physics, life sciences, and many other fields does not need to be elaborated. The forty years of the exponential accumulation of data and development of sophisticated software for data mining and use have been mastered to a great efficiency. This valuable database and developing software tools are at disposal to the scientific community for the forty years. We suppose that crystallographers are familiar with the standard procedures based on CONQUEST, Mercury, Vista, and PreQuest. However, we would like to invite you to explore knowledge based systems that can be used for the research: IsoStar, Mogul, SuperStar, Relibase, GOLD, and DASH. To contribute to the activities dedicated to 40th anniversary we would like to illustrate the use of the CSD for the conformational and topological analysis of tubular assemblies of macrocycles including chalcogen atoms. The analysis is based on 137 compounds found in the CSD ; it is aimed to document intermolecular interactions of the novel compounds prepared in the group of dr. K. Majerski Mlinarić, Rudjer Bošković Institute. The topological analysis of these compounds can help to design synthesis of molecular sensors.
Cambridge Structural Database; data mining; macrocyclic polythianes
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Podaci o prilogu
2005.
objavljeno
Podaci o matičnoj publikaciji
Fourteenth Croatian-Slovenian Crystallographic Meeting, Book of Abstracts
Cetina, Mario
Zagreb:
Podaci o skupu
FOURTEENTH CROATIAN-SLOVENIAN CRYSTALlOGRAPHIC MEETING
predavanje
15.06.2005-17.06.2005
Vrsar, Hrvatska