Поисковый запрос: (<.>K=DFT<.>) |
Общее количество найденных документов : 74
Показаны документы с 1 по 10 |
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1.
| Ab initio LC-DFT study of graphene, multilayer graphenes and graphite/P. V. Avramov [et al.] // Chemical Physics Letters:Elsevier Science BV, 2011. т.Vol. 508,N Is. 1-3.-С.86-89
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| DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures/A. S. Fedorov [et al.] // Physica status solidi B - Basic Solid State Physics, 2012. т.Vol. 249,N Is. 12.-С.2549-2552
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| Photoluminescence tuning via cation substitution in oxonitridosilicate phosphors: DFT calculations, different site occupations, and luminescence mechanisms/G. Li [et al.] // Chemistry of Materials:American Chemical Society, 2014. т.Vol. 26,N Is. 9.-С.2991-3001
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| Ni-doping effect of Mg(0 0 0 1) surface to use it as a hydrogen storage material/A. V. Kuklin [et al.] // Journal of Alloys and Compounds:Elsevier Science, 2014. т.Vol. 609.-С.93-99
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| A complex of ceftriaxone with Pb(II): synthesis, characterization, and antibacterial activity study/A. O. Lykhin [et al.] // Journal of Coordination Chemistry:Taylor & Francis, 2014. т.Vol. 67,N Is. 16.-С.2783-2794
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| Structure and electronic properties of hollow-caged C60 fullerene-derived (MN4)nC6(10 − n) (M = Zn, Mg, Fe, n = 1−6) complexes/V. A. Pomogaev [et al.] // International Journal of Quantum Chemistry:Wiley-Blackwell, 2015. т.Vol. 115,N Is. 4.-С.239-244
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| Квантово-химическое исследование структуры и свойств моно- и бислоев CrN/А. В. Куклин [и др.] // Вестник Сибирского государственного аэрокосмического университета им. академика М.Ф. Решетнева. -Красноярск:СибГАУ, 2015. т.Т. 16,N № 2.-С.450-455
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| Теоретическое исследование внедрения атомов лития в кремний/Н. С. Михалева [и др.] // Вестник Сибирского государственного аэрокосмического университета им. академика М.Ф. Решетнева. -Красноярск:СибГАУ, 2015. т.Т. 16,N № 2.-С.456-463
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| On the possibility of contact-induced spin polarization in interfaces of armchair nanotubes with transition metal substrates/A. A. Kuzubov [et al.] // Journal of Magnetism and Magnetic Materials:Elsevier, 2015. т.Vol. 396.-С.102-105
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| Prediction and theoretical investigation of new 2D and 3D periodical structures, having graphene-like bandstructures/A. S. Fedorov [et al.] // Physica status solidi B - Basic Solid State Physics, 2015. т.Vol. 252,N Is. 11.-С.2407-2411
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