Поисковый запрос: (<.>K=Calculations<.>) |
Общее количество найденных документов : 123
Показаны документы с 1 по 10 |
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1.
| Elucidating elusive quaternary selenide EuCeCuSe3: Synthesis, crystal structure, properties and theoretical studies/M. V. Grigoriev, A. V. Ruseikina, M. S. Molokeev [et al.] // Journal of Rare Earths, 2024. т.Vol. 42,N Is. 1.-С.163-171
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2.
| Zhandun V. S. Magnetic structure and pressure-induced spin-crossover in Me3B2O6 (Me = Mn, Fe, Co, Ni) kotoites: Representation analysis and DFT calculations/V. S. Zhandun, O. N. Draganyuk, N. G. Zamkova // Computational Materials Science, 2024. т.Vol. 236.- Ст.112859
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3.
| Orthogonal magnetic structures of Fe4O5: representation analysis and DFT calculations/V. Zhandun, N. Kazak, I. Kupenko [et al.] // Dalton Transactions, 2024. т.Vol. 53,N Is. 5.-С.2242-2251
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4.
| Zhandun V. S. Magnetic structure of Fe5O6: Group-theoretical analysis and DFT calculations/V. S. Zhandun, N. V. Kazak, D. M. Vasiukov // JETP Letters, 2024. т.Vol. 119,N Is. 4.-С.294-298
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5.
| Sofronova S. N. Magnetic ordering and the role of superexchange Ni–O–B–O–Ni upon the formation of magnetic order in ludwigite Ni2MnBO5 from first-principal calculations/S. Sofronova, A. Chernyshev // Computational Condensed Matter, 2024. т.Vol. 40.- Ст.e00918
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6.
| First-principles calculations to investigate optical, phonon and electronic properties of quaternary sulfides SrRECuS3 (RE = La, Nd, Tm)/V. A. Chernyshev, A. V. Ruseikina, M. V. Grigoriev [et al.] // Inorganic Chemistry Communications, 2024. т.Vol. 165.- Ст.112449
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| Zhandun V. S. The arising of ferromagnetism in Al-doped Mn2(Ga1−xAlx)C MAX phases/V. S. Zhandun, N. G. Zamkova, O. N. Draganyuk // Journal of Magnetism and Magnetic Materials, 2024. т.Vol. 601.- Ст.172193
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8.
| Magnetic, optical, and thermic properties of SrLnCuSe3 (Ln = Dy, Ho, Er, Tm) compounds/N. N. Habibullayev, N. G. Naumov, A. N. Lavrov [et al.] // Magnetochemistry, 2023. т.Vol. 9,N Is. 8.- Ст.194
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9.
| Oreshonkov A. S. Phonon dynamics in MoSi2N4: insights from DFT calculations/A. S. Oreshonkov, E. V. Sukhanova, Z. I. Popov // Physical Chemistry Chemical Physics, 2023. т.Vol. 25,N Is. 43.-С.29831-29841
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10.
| Single crystals of EuScCuSe3: Synthesis, experimental and DFT investigations/M. V. Grigoriev, A. V. Ruseikina, V. A. Chernyshev [et al.] // Materials, 2023. т.Vol. 16,N Is. 4.- Ст.1555
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