Development of a software product for the analysis of reactivity of fullerenes.
A. D. Saitgalina1, D. Sh. Sabirov2, I. M. Gubaydullin3
|Annotation||In 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.|
|Keywords||polarizability 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; firstname.lastname@example.org.
3Senior Researcher of Mathematical chemistry laboratory, Institute of Petrochemistry and Catalysis of RAS, Ufa; email@example.com
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)