Поисковый запрос: (<.>K=DFT<.>) |
Общее количество найденных документов : 74
Показаны документы с 1 по 10 |
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1.
| 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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2.
| 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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3.
| Absorption spectra of the purple nonsulfur bacteria light-harvesting complex: A DFT study of the B800 part/L. V. Begunovich, E. A. Kovaleva, M. M. Korshunov, V. F. Shabanov // Journal of Photochemistry and Photobiology A: Chemistry, 2024. т.Vol. 450.- Ст.115454
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4.
| Anisotropic thermal expansion and electronic structure of LiInSe2/V. V. Atuchin, L. I. Isaenko, S. I. Lobanov [et al.] // Molecules, 2022. т.Vol. 27,N Is. 16.- Ст.5078
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5.
| Article simplicity out of complexity: Band structure for w20o58 superconductor/A. A. Slobodchikov, I. A. Nekrasov, N. S. Pavlov, M. M. Korshunov // Nanomaterials, 2021. т.Vol. 11,N Is. 1.- Ст.97.-С.1-10
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6.
| Atomic and electronic structure of MAX-phase Cr2AlC studied by DFT calculations/D. Ivanova, N. Fedorova, V. Kozak [et al.] // International workshop on the properties of functional MAX-materials (2nd FunMax), 2021.-С.37
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7.
| Atomic Structure and Energetic Stability of Complex Chiral Silicon Nanowires/P. V. Avramov [et al.] // Journal of Physical Chemistry C, 2010. т.Vol. 114,N Is. 35.-С.14692-14696
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| Begunovich L. V. Band structure of organic-ion-intercalated (EMIM)xFeSe superconductor/L. V. Begunovich, M. M. Korshunov // Materials, 2022. т.Vol. 15,N Is. 5.- Ст.1856
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9.
| Begunovich L. V. Magnetic collapse in Fe3Se4 under high pressure/L. V. Begunovich, M. M. Korshunov, S. G. Ovchinnikov // Materials, 2022. т.Vol. 15,N Is. 13.- Ст.4583
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10.
| Buckminsterfullerene's movability on the Fe(001) surface/A. A. Kuzubov [et al.] // Journal of Magnetism and Magnetic Materials:Elsevier, 2016. т.Vol. 410.-С.41-46
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