019 (2): Спеціальний випуск

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    Геометричні ідеї лінійної алгебри
    (2001) Андросенко, Микола; Шарова, А.
    Geometry explanation of one of the main theorems of the linear algebra has been expressed, using the reductionally marked geometry ideas.
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    Конформаційний аналіз молекули кверцетину
    (2001) Богдан, Т. В.; Тригубенко, С.; Пилипчук, Л.; Потягайло, А.; Самійленко, С.; Говорун, Д.
    By AMI method quercetine molecule was first shown to have eight pairs of minor-symmetrical low-energy ( kcal/mol) conformations with the propeller-like orientation of pyrone and phenyl rings and then -0,5 kcal/mol "racemization" barriers. The most probable ways and energies of their interconversions were established.
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    Вивчення обертання Землі - комплексна проблема астрономії та геофізики
    (2001) Яцків, Я.
    У статті представлена коротка історія, основні означення, проблематика та інформаційний цикл вивчення обертання Землі.
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    Number of isomers in icosahedral fullerene C60 and C80 series
    (2001) Kornilov, M.; Ljubchuk, T.; Plakhotnyk, V.; Zamkovyi, V.
    The numbers of isomers in icosahedral fullerene C60 and Cg0 series have been enumerated by applying Polya's theorem and analysing symmetries of their molecular frameworks. Cycle indices have been deduced for chiral and achiral derivatives. Program operating with polydigital numbers have been applied to calculate numbers of isomeric derivatives up to C540.
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    Модельний розгляд дегідроксилювання пірофілліту
    (2001) Гребенюк, А. Г.
    Quantum chemical calculations have been made on the spatial and electronic structures as well as on formation enthalpies of molecular models for the elementary layer of pyrophyllite and its dehydroxylated form by the SCF MO LCAO method within the frameworks of semiempirical MNDO, AMI, and PM3 approximations. A mechanism of the dehydroxylation reaction has been suggested, the transition state structure and activation energy of the process have been evaluated. The results obtained have been used for an analysis of the available experimental data.