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Общее количество найденных документов : 28
Показаны документы с 1 по 20
1.

Unique Nanomechanical Properties of Diamond-Lonsdaleite Biphases: Combined Experimental and Theoretical Consideration of Popigai Impact Diamonds/W. Baek [et al.] // Nano Letters, 2019. т.Vol. 19,N Is. 3.-С.1570-1576
2.

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
3.

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
4.

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", 2016.-С.481-489
5.

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, 2017. т.Vol. 440:EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA).-С.23-29
6.

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, 2017. т.Vol. 440:EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA).-С.93-96
7.

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
8.

Why the magnetite-gold core-shell nanoparticles are not quite good and how to improve them/A. E. Sokolov, O. S. Ivanova, A. S. Fedorov [et al.] // Physics of the Solid State, 2021. т.Vol. 63,N Is. 10.-С.1536-1540
9.

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
10.

Kovaleva E. A. Time-dependent DFT-based study of bacteriochlorophyll a optical properties within the B800 part of LH2 Rhodoblastus acidophilus light-harvesting complex/E. A. Kovaleva, L. V. Begunovich, M. M. Korshunov // Journal of Photochemistry and Photobiology A: Chemistry, 2025. т.Vol. 468.- Ст.116489
11.

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
12.

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
13.

Theoretical investigation of the prospect to tailor ZnO electronic properties with VP thin films/A. S. Kholtobina, E. A. Kovaleva, J. Melchakova [et al.] // Nanomaterials, 2021. т.Vol. 11,N Is. 6.- Ст.1412
14.

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
15.

Buckminsterfullerene's movability on the Fe(001) surface/A. A. Kuzubov [et al.] // Journal of Magnetism and Magnetic Materials, 2016. т.Vol. 410.-С.41-46
16.

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
17.

Characterization of LSMO/C60 spinterface by first-principle calculations/E. A. Kovaleva [et al.] // Organic Electronics: physics, materials, applications, 2016. т.Vol. 37.-С.55-60
18.

Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry/A. A. Kuzubov [et al.] // Computational Materials Science, 2016. т.Vol. 112, Part A.-С.269-275
19.

Contact-induced spin polarization in BNNT(CNT)/TM (TM=Co, Ni) nanocomposites/A. A. Kuzubov [et al.] // Journal of Applied Physics, 2014. т.Vol. 116,N Is. 8.- Ст.084309
20.

Theoretical investigation of the adsorption and diffusion of hydrogen on the surface and in the bulk of the intermetallic compound Mg2Ni/A. A. Kuzubov [et al.] // Physics of the Solid State, 2014. т.Vol. 56,N Is. 10.-С.2035-2042
 

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