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Общее количество найденных документов : 74
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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
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
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
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
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
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
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
8.

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
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
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
11.

Characterization of LSMO/C60 spinterface by first-principle calculations/E. A. Kovaleva [et al.] // Organic Electronics: physics, materials, applications:Elsevier, 2016. т.Vol. 37.-С.55-60
12.

Choice of the DFT functional for calculation electronic properties of (CrFe)SiC MAX phases/A. Shubin, J. Olshevskaya, A. Kovaleva, F. N. Tomilin // International workshop on the properties of functional MAX-materials (2nd FunMax), 2021.-С.47
13.

Complex of Ca(II) with ceftriaxone: Synthesis, structure, spectral and antibacterial properties/G. V. Novikova, D. I. Tsyplenkova, A. A. Kuzubov [и др.] // Journal of Siberian Federal University. Chemistry, 2021. т.Vol. 14,N Is. 3.-С.290-301;Журнал Сибирского федерального университета. Серия: Химия
14.

Density-functional study of the Si/SiO2 interfaces in short-period superlattices: Vibrational states and Raman spectra/M. Smirnov, E. Roginskii, A. Savin [et al.] // Photonics, 2023. т.Vol. 10,N Is. 8.- Ст.902
15.

DFT investigation of electronic and optical magnetic properties of one dimensional transition metal halide structuresTmHaI3/A. S. Fedorov [et al.] // International workshop on actual problems of condensed matter physics. -Krasnoyarsk, 2017.-С.20
16.

DFT investigation of electronic structures and magnetic properties of halides family MeHal3 (Me=Ti, Mo,Zr,Nb, Ru, Hal=Cl,Br,I) one dimensional structures/A. A. Kuzubov [et al.] // Journal of Magnetism and Magnetic Materials:Elsevier Science, 2017. т.Vol. 440:EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA).-С.93-96
17.

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
18.

Effect of complexation with closo-decaborate anion on photophysical properties of copolyfluorenes containing dicyanophenanthrene units in the main chain/A. A. Yakimanskiy, K. I. Kaskevich, T. G. Chulkova [et al.] // Micro, 2023. т.Vol. 3,N Is. 4.-С.930-940
19.

Electronic structure and minimal models for flat and corrugated CuO monolayers: An ab initio study/A. A. Slobodchikov, I. A. Nekrasov, L. V. Begunovich [et al.] // Materials, 2023. т.Vol. 16,N Is. 2.- Ст.658
20.

Experimental and DFT study of BaLaCuS3: Direct band gap semiconductor/A. S. Oreshonkov, N. O. Azarapin, N. P. Shestakov, S. V. Adichtchev // Journal of Physics and Chemistry of Solids, 2021. т.Vol. 148.- Ст.109670
 

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