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Страница 12 из 2007
Conformational isomerism in 3,5,8-trioxabicyclo[5.1.0]octane and its diastereomeric 4-methyl derivatives. A combined IR, X-ray and ab initio studyIR spectroscopy and ab initio calculations have been applied to the title compounds. Bicyclic
Simulation of intersecting black brane solutions by a multicomponent anisotropic fluid black brane solution in a model with antisymmetric forms. Examples of simulation of intersecting M2
Исследование в первопринципном подходе электронных свойств двухмерных наноструктур кремния и германия и гетероструктур на их основе : отчет о НИР (заключ.) их основе; выполнена серия ab initio расчетов по моделированию зонной структуры и плотности
Atom species energy dependence on magnetic configurations in the perovskite yttrium orthoferrite multiferroic yttrium orthoferrite YFeO3 on magnetic configurations by ab-initio methods. Four magnetic
First-principles study of stability and electronic properties of single-element 2D materials2,
and Bi2) by ab initio calculations. The calculations of structural and mechanical properties of 2
Анализ радиальных сечений потенциальной энергии взаимодействующего комплекса O3-O2 слое атмосферы Земли. Расчеты проведены из первых принципов (ab initio) квантовой теории с
Atom species energy dependence on magnetic configurations in the perovskite yttrium orthoferrite of magnetic configurations of the YFeO 3 by ab-initio method.
Temperature dependence of the thermal conductivity of wurtzite aluminum nitride, gallium nitride and aluminum-gallium nitrideN, GaN and AlGaN in the framework of the ab initio (or “first-principles”) formalism to determine
Initial steps in reactions of aquathermolysis of cyclohexyl phenyl sulfide by means of ab initio calculations have shown that ab initio quantum chemistry methods could be applicable for comparative analysis
Two-Dimensional Lattices of VN: Emergence of Ferromagnetism and Half-Metallicity on Nanoscale and Ni bulks. The phonon spectra and ab initio molecular dynamic simulation prove that 2D VN lattices
Страница 12 из 2007
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