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Development of a software product for the analysis of the structure of fullerenes.

A. D. Saitgalina1

AnnotationIn this work the algorithm for calculating the volume of fullerene molecules is described. Algorithm is based on the polyhedral decomposition of the molecule into simplices (the pyramid), the calculation of the volumes and the subsequent summation.Using of parallel processing to optimize the time spent in solving this problem is Discussed. The program product ``Volume'' is developed using this algorithm.
KeywordsFullerene, volume, nanostructures, encapsulation.

1Postgraduate student laboratory physicochemical problems, Institute of petrochemistry and catalysis of RAS, Ufa; saitgalinaAD@bashedu.ru.

Citation: A. D. Saitgalina, "[Development of a software product for the analysis of the structure of fullerenes.]", Zhurnal Srednevolzhskogo matematicheskogo obshchestva,14:4 (2012) 84–90 (In Russian)