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Cambridge Crystallographic Data Centre, 40th Anniversary, 1965-2005 (CROSBI ID 507050)

Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija

Kojić-Prodić, Biserka ; Molčanov, Krešimir Cambridge Crystallographic Data Centre, 40th Anniversary, 1965-2005 // Fourteenth Croatian-Slovenian Crystallographic Meeting, Book of Abstracts / Cetina, Mario (ur.). Zagreb, 2005

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

Povezanost rada

Kemija