Электронная библиотека (репозиторий) Томского государственного университета
2015

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Add   Ab initio calculations of absolute surface energies of clean and hydrogen covered 3C-SiC(001), (110) and (111) surfaces
Authors: Filimonov, Sergey N.
Source: Materials science forum. 2015. Vol. 821/823. P. 363-366
Type: статьи в журналах
Date: 2015
Description: The absolute surface energies of three major low index surfaces of cubic silicon carbide (3C-SiC) are determined by first-principles density functional theory calculations. Calculations show that amon ... More
Add   Ab-initio study of cation-rich InP(001) and GaP(001) surface reconstructions and iodine adsorption
Authors: Bakulin, Alexander V. | Ponomarev, A. N. | Kulkova, Svetlana E.
Source: IOP Conference Series: Materials Science and Engineering. 2015. Vol. 77. P. 012004 (1-5)
Type: статьи в журналах
Date: 2015
Description: Atomic and electronic structures for a number of InP and GaP (001) surface geometries were studied within the density functional theory (DFT) in order to reexamine the energy stability of surface reco ... More
Add   Computational and experimental investigation of the optical properties of the chromene dyes
Authors: Minaev, Boris F. | Nikonova, Elena N. | Gadirov, Ruslan M. | Solodova, Tatyana A. | Kopylova, Tatyana N. | Telminov, Evgenii N. | Valiev, Rashid R.
Source: The Journal of Physical Chemistry A. 2015. Vol. 119, № 10. P. 1948-1956
Type: статьи в журналах
Date: 2015
Description: Absorption and fluorescence spectra of the chromene 3 and chromene 13 dyes are studied experimentally and by density functional theory (DFT) including vibronic structure analysis. Vertical electronic ... More
Add   Donor-acceptor coordination of anions by chalcogen atoms of 1,2,5-chalcogenadiazoles
Authors: Semenov, Nikolay A. | Gritsan, Nina P. | Zibarev, Andrey V. | Lonchakov, A. V.
Source: Russian chemical bulletin. 2015. Vol. 64, № 3. P. 499-510
Type: статьи в журналах
Date: 2015
Description: Synthetic, structural, and thermodynamic aspects of the recently discovered new reaction, donor-acceptor coordination of anions (A–) by chalcogen atoms (E) of 1,2,5-chalcogenadiazoles, are considered. ... More
Add   Shape memory behavior in Fe3Al-modeling and experiments
Authors: Patriarca, L | Sehitoglu, Huseyin | Chumlyakov, Yuri I. | Alkan, S.
Source: Philosophical magazine. 2015. Vol. 95, № 23. P. 2553-2570
Type: статьи в журналах
Date: 2015
Description: The Fe3Al alloy with D03 structure exhibits large recoverable strains due to reversible slips. Tension and compression experiments were conducted on single crystals of Fe3Al, and the onset of slip in ... More
Add   Расчеты из первых принципов оптических констант слоистых кристаллов GaSe и InSe
Authors: Саркисов, Сергей Юрьевич | Брудный, Валентин Натанович | Журавлев, Юрий Николаевич (физик) | Кособуцкий, Алексей Владимирович
Source: Физика твердого тела. 2015. Т. 57, Вып. 9. С. 1693-1697
Type: статьи в журналах
Date: 2015
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