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Two-Dimensional Lattices of VN: Emergence of Ferromagnetism and Half-Metallicity on Nanoscale

The journal of physical chemistry letters, 2018-03, Vol.9 (6), p.1422-1428

2018

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Nonadiabatic transition state theory: Application to intersystem crossings in the active sites of metal-sulfur proteins

International journal of quantum chemistry, 2016-05, Vol.116 (10), p.750-761

2016

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Theoretical Investigation of the Interfaces and Mechanisms of Induced Spin Polarization of 1D Narrow Zigzag Graphene- and h‑BN Nanoribbons on a SrO-Terminated LSMO(001) Surface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (3), p.680-689

2017

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Theoretical Investigation of the Prospect to Tailor ZnO Electronic Properties with VP Thin Films

Nanomaterials (Basel, Switzerland), 2021-05, Vol.11 (6), p.1412

2021

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Two-dimensional hexagonal CrN with promising magnetic and optical properties: A theoretical prediction

Nanoscale, 2017-01, Vol.9 (2), p.621-630

2017

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External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface

International journal of quantum chemistry, 2020-02, Vol.120 (3), p.n/a

2020

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Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness

Journal of physical chemistry. C, 2011-01, Vol.115 (1), p.132-136

2011

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Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system

Physica Status Solidi (b), 2008-08, Vol.245 (8), p.1546-1551

2008

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Ultraviolet fluorescence of coelenteramide and coelenteramide-containing fluorescent proteins. Experimental and theoretical study

Journal of photochemistry and photobiology. B, Biology, 2016-09, Vol.162, p.318-323

2016

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Ni-doping effect of Mg(0001) surface to use it as a hydrogen storage material

Journal of alloys and compounds, 2014-10, Vol.609, p.93-99

2014

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Complex of Ca(II) with Ceftriaxone: Synthesis, Structure, Spectral and Antibacterial Properties

Journal of Siberian Federal University. Chemistry, 2021-01, Vol.14 (3), p.290-301

2021

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Ab initio and empirical modeling of lithium atoms penetration into silicon

Computational materials science, 2015-11, Vol.109, p.76-83

2015

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Contact-induced spin polarization in BNNT(CNT)/TM (TM=Co, Ni) nanocomposites

Journal of applied physics, 2014-08, Vol.116 (8)

2014

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Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry

Computational materials science, 2016-02, Vol.112, p.269-275

2016

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A complex of ceftriaxone with Pb(II): synthesis, characterization, and antibacterial activity study

Journal of coordination chemistry, 2014-08, Vol.67 (16), p.2783-2794

2014

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Strong Electron Correlations Determine Energetic Stability and Electronic Properties of Er-Doped Goldberg-Type Silicon Quantum Dots

Journal of physical chemistry. C, 2009-09, Vol.113 (36), p.15964-15968

2009

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Molecular hydrogen sorption capacity of D-shwarzites

Applied surface science, 2017-09, Vol.416, p.766-771

2017

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The Properties of the Water-Soluble Hydroxy-Polyhydroxy fullerenes in Auto-Oxidation Reactions Epinephrine

Journal of Siberian Federal University. Chemistry, 2015-01, Vol.8 (4), p.533-540

2015

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Triple VTe2/graphene/VTe2 heterostructures as perspective magnetic tunnel junctions

Applied surface science, 2020-04, Vol.510, p.145315, Article 145315

2020

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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

Applied surface science, 2021-02, Vol.540, p.148223, Article 148223

2021

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External electric field effect on electronic properties and charge transfer in CoI 2 /NiI 2 spinterface

International journal of quantum chemistry, 2020-02, Vol.120 (3)

2020

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Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase: Complex experimental and theoretical study

Journal of molecular structure, 2017-10, Vol.1146, p.677-683

2017

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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

Journal of magnetism and magnetic materials, 2017-10, Vol.440, p.23-29

2017

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Two-dimensional hexagonal CrN with promising magnetic and optical properties: A theoretical predictionElectronic supplementary information (ESI) available: The GGA DFT optimized geometry for the bulk CrN, MoSe2 and MoS2; phonon band structure; equilibrium structure of the h-CrN nanocluster; equi-biaxial strain vs. energy and vs. stress plot for h-CrN; isosurface of h-CrN AFM state; band structures and densities of states of both composites; spatial charge distribution of h-CrN, h-CrN/MoSe2, h-Cr

2017-01

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The direct exchange mechanism of induced spin polarization of low-dimensional p-conjugated carbon- and h-BN fragments at LSMO (001) MnO-terminated interfaces

Journal of magnetism and magnetic materials, 2017-10, Vol.440, p.23

2017

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Two-Dimensional Lattices of VN: Emergence of Ferromagnetism and Half-Metallicity on Nanoscale

Nonadiabatic transition state theory: Application to intersystem crossings in the active sites of metal-sulfur proteins

Theoretical Investigation of the Interfaces and Mechanisms of Induced Spin Polarization of 1D Narrow Zigzag Graphene- and h‑BN Nanoribbons on a SrO-Terminated LSMO(001) Surface

Theoretical Investigation of the Prospect to Tailor ZnO Electronic Properties with VP Thin Films

Two-dimensional hexagonal CrN with promising magnetic and optical properties: A theoretical prediction

External electric field effect on electronic properties and charge transfer in CoI2/NiI2 spinterface

Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness

Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system

Ultraviolet fluorescence of coelenteramide and coelenteramide-containing fluorescent proteins. Experimental and theoretical study

Ni-doping effect of Mg(0001) surface to use it as a hydrogen storage material

Complex of Ca(II) with Ceftriaxone: Synthesis, Structure, Spectral and Antibacterial Properties

Ab initio and empirical modeling of lithium atoms penetration into silicon

Contact-induced spin polarization in BNNT(CNT)/TM (TM=Co, Ni) nanocomposites

Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry

A complex of ceftriaxone with Pb(II): synthesis, characterization, and antibacterial activity study

Strong Electron Correlations Determine Energetic Stability and Electronic Properties of Er-Doped Goldberg-Type Silicon Quantum Dots

Molecular hydrogen sorption capacity of D-shwarzites

The Properties of the Water-Soluble Hydroxy-Polyhydroxy fullerenes in Auto-Oxidation Reactions Epinephrine

Triple VTe2/graphene/VTe2 heterostructures as perspective magnetic tunnel junctions

Potential energy surfaces of adsorption and migration of transition metal atoms on nanoporus materials: The case of nanoporus bigraphene and G-C3N4

External electric field effect on electronic properties and charge transfer in CoI 2 /NiI 2 spinterface

Mechanism of dicarbonyl(2,4-pentanedionato)iridium(I) decomposition on iron surface and in gas phase: Complex experimental and theoretical study

The direct exchange mechanism of induced spin polarization of low-dimensional π-conjugated carbon- and h-BN fragments at LSMO(001) MnO-terminated interfaces

The direct exchange mechanism of induced spin polarization of low-dimensional p-conjugated carbon- and h-BN fragments at LSMO (001) MnO-terminated interfaces

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