Systematic studies of general structural characteristics of organic molecular crystals and prediction of their structures View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2005-03

AUTHORS

L. N. Kuleshova, D. W. M. Hofmann, M. Yu. Antipin

ABSTRACT

A strategy is developed for constructing noncentrosymmetric (polar) packings of crystals necessary for the manifestation of a number of important physical properties of crystals. The strategy is based on the analysis of the data obtained in the systematic studies of general structural characteristics of pairs of centro-and noncentrosymmetric polymorphic modifications of a number of organic molecular structures. An algorithm for prediction of such packings is designed on the basis of the potential function singled out by the method of automatic statistical search for information (Data Mining) in the Cambridge Structural Database. More... »

PAGES

167-176

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/1.1887889

DOI

http://dx.doi.org/10.1134/1.1887889

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1005191047


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