Поисковый запрос: (<.>K=Calculations<.>) |
Общее количество найденных документов : 123
Показаны документы с 1 по 10 |
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1.
| Regularities of the property changes in the compounds EuLnCuS3 (Ln = La-Lu)/A. V. Ruseikina, V. A. Chernyshev, D. A. Velikanov [et al.] // Journal of Alloys and Compounds, 2021. т.Vol. 874.- Ст.159968
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| Electronic band structures of NdFe3(BO3)4 and NdGa3(BO3)4 crystals: ab initio calculations/S. Krylova, I. Gudim, A. Aleksandrovsky [et al.] // Ferroelectrics, 2021. т.Vol. 575,N Is. 1.-С.11-17
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| Oreshonkov A. S. Structural features of Y2O2SO4 via DFT calculations of electronic and vibrational properties/A. S. Oreshonkov, Y. G. Denisenko // Materials, 2021. т.Vol. 14,N Is. 12.- Ст.3246
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| Polymorphs of Rb3ScF6: X-ray and Neutron Diffraction, Solid-State NMR, and Density Functional Theory Calculations Study/A. Rakhmatullin, M. S. Molokeev, G. King [et al.] // Inorganic Chemistry, 2021. т.Vol. 60,N Is. 8.-С.6016-6026
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| A New Nonlinear Optical Selenide Crystal AgLiGa2Se4 with Good Comprehensive Performance in Mid-Infrared Region/A. Yelisseyev, S. Lobanov, M. Molokeev [et al.] // Advanced Optical Materials, 2021. т.Vol. 9,N Is. 5.- Ст.2001856
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| Synthesis, structure, and properties of EuScCuS3 and SrScCuS3/A. V. Ruseikina, M. S. Molokeev, V. А. Chernyshev [et al.] // Journal of Solid State Chemistry, 2021. т.Vol. 296.- Ст.121926
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| Zhandun V. S. The magnetic, electronic, optical, and structural properties of the AB2O4 (A = Mn, Fe, Co; B = Al, Ga, In) spinels: Ab initio study/V. S. Zhandun // Journal of Magnetism and Magnetic Materials, 2021. т.Vol. 533.- Ст.168015
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| Trimetallic magnetite-Ti-Au nanoparticle formation: A theoretical approach/A. S. Fedorov, E. A. Kovaleva, A. E. Sokolov [et al.] // Materials Chemistry and Physics, 2021. т.Vol. 271.- Ст.124847
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| Structural and electronic properties of the heterostructures based on Me2AlC-phase predicted by quantum chemistry calculations/F. N. Tomilin, V. Kozak, D. Ivanova [et al.] // International workshop on the properties of functional MAX-materials (2nd FunMax), 2021.-С.49
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10.
| Sofronova S. N. The nonempirical calculations of the lattice dynamics of the oxyfluiride Rb2KTioF5/S. N. Sofronova // Abstracts of the 10th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, 2010.-С.170
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