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Перегляд Functional Materials, 2016, № 2 за темою "Modeling and simulation"

Репозиторій DSpace/Manakin

Перегляд Functional Materials, 2016, № 2 за темою "Modeling and simulation"

Сортувати за: Порядок: Результатів:

  • A semiempirical description of functionalized nanodiamonds with NV- color centers 
    Luzanov, A.V.; Zhikol, O.A.; Omelchenko, I.V.; Nizovtsev, A.P.; Kilin, S.Ya.; Puchkarchuk, A.L.; Puchkarchuk, V.A. (Functional Materials, 2016)
    Possibilities of semiempirical AM1 method in descripting the nanodiamond spectral properties are investigated with the stress on the relevant functionalized systems containing nitrogen-vacancy color centers. We studied two ...
  • Computer simulation of the compressive failure of porous material through Distinct Lattice Spring Model 
    You Shuang; Zhao Gaofeng; Ji Hongguang (Functional Materials, 2016)
    This paper presents the computer simulation of dynamic failure process of porous material through a discrete numerical method. The motivation of this study is to investigate the influence of porous on the compressive failure ...
  • Fragmentation of thin lenses 
    Brodskii, R.Ye.; Kulik, T.V. (Functional Materials, 2016)
    In the paper it was investigated the case of the quasi-two-dimensional fragmentation - fragmentation of the round lenses considering dependence of the probability of splitting on energy required for this, i.e. the surface ...
  • Quantum chemical designing of cholesterol containing radionuclide anticancer agents 
    Dikusar, E.A.; Zelenkovskii, V.M.; Pushkarchuk, A.L.; Rudakov, D.A.; Potkin, V.I.; Kilin, S.J.; Soldatov, A.G.; Kuten, S.A. (Functional Materials, 2016)
    In this work DFT simulation of the electron structure of cholesterol containing radionuclide agents (cluster systems of carborane (ortho-1, meta-2, para-3) and fullerenol derivatives) for oncological diseases therapy was ...

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