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

A. D. Saitgalina1, D. Sh. Sabirov2, I. M. Gubaydullin3

AnnotationIn this work the methods for calculating the parameters of the fullerene molecules are described. These parameters are necessary for analysis of reactivity of molecules. The program products <<Polariz>> and <<Curvature>> are developed using these methods.
Keywordspolarizability indices, angles of pyramidality, indices of curvature, reactivity.

1Graduate Faculty of Mathematics and Information Technology, Bashkir State University, Ufa; Albina182007@gmail.com.

2Researcher of Physical chemistry researches laboratory, Institute of Petrochemistry and Catalysis of RAS, Ufa; diozno@mail.ru.

3Senior Researcher of Mathematical chemistry laboratory, Institute of Petrochemistry and Catalysis of RAS, Ufa; irekmars@mail.ru

Citation: A. D. Saitgalina, D. Sh. Sabirov, I. M. Gubaydullin , "[Development of a software product for the analysis of reactivity of fullerenes.]", Zhurnal Srednevolzhskogo matematicheskogo obshchestva,13:2 (2011) 132–137 (In Russian)