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| A key role of tensile strain and surface termination in formation and properties of La0.7Sr0.3MnO3 composites with carbon nanotubes/E. A. Kovaleva [et al.] // Computational Materials Science:Elsevier, 2017. т.Vol. 139.-С.125-131
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| 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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| 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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| 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
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| Contact-induced spin polarization in BNNT(CNT)/TM (TM=Co, Ni) nanocomposites/A. A. Kuzubov [et al.] // Journal of Applied Physics:American Institute of Physics, 2014. т.Vol. 116,N Is. 8.- Ст.084309
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| 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
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| 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
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| External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface/I. Melchakova [et al.] // International Journal of Quantum Chemistry, 2020. т.Vol. 120,N Is. 3.- Ст.e26092
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| Insights into fullerene polymerization under the high pressure: The role of endohedral Sc dimer/S. V. Erohin, V. D. Churkin, N. G. Vnukova [et al.] // Carbon, 2022. т.Vol. 189.-С.37-45
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| International workshop on actual problems of condensed matter physics/Fed. Res. Center KSC SB RAS, Kirensky Inst. of phys., Sib. Fed. Univ.. - 2017
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| Molecular dynamical modelling of endohedral fullerenes formation in plasma/A. S. Fedorov [et al.] // IOP Conference Series: Materials Science and Engineering, 2016. т.Vol. 110,N Is. 1
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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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| Potential energy surfaces of adsorption and migration of transition metal atoms on nanoporus materials: The case of nanoporus bigraphene and G-C3N4/I. Melchakova, K. M. Nikolaeva, E. A. Kovaleva [et al.] // Applied Surface Science, 2021. т.Vol. 540.- Ст.148223
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| Kovaleva E. A. Quantum-chemical investigation of interface between C60 and LSMO/E. A. Kovaleva, A. A. Kuzubov // VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016). -Krasnoyarsk:KIP RAS SB, 2016.- Ст.O9.3.-С.381
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| Stability and electronic properties of PtPd nanoparticles via MD and DFT calculations/I. V. Chepkasov [et al.] // Journal of Physical Chemistry C, 2018. т.Vol. 122,N Is. 31.-С.18070-18076
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| Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry/A. A. Kuzubov [et al.] // Computational Materials Science:Elsevier, 2016. т.Vol. 112, Part A.-С.269-275
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| The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces/A. V. Kuklin [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.23-29
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| The role of strong electron correlations in determination of band structure and charge distribution of transition metal dihalide monolayers/E. A. Kovaleva [et al.] // Journal of Physics and Chemistry of Solids, 2019. т.Vol. 134.-С.324-332
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| The technology and setup for high-throughput synthesis of endohedral metal fullerenes/D. I. Chervyakova [et al.] // Proceedings of the Scientific-Practical Conference "Research and Development - 2016":Springer, 2016.-С.481-489
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| Theoretical investigation of molecular and electronic structures of buckminsterfullerene-silicon quantum dot systems/A. S. Fedorov [et al.] // Journal of Physical Chemistry A:American Chemical Society, 2016. т.Vol. 120,N Is. 49.-С.9767-9775
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