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Ab initio and empirical modeling of lithium atoms penetration into silicon / N. S. Mikhaleva [et al.] // Comput. Mater. Sci. - 2015. - Vol. 109. - P. 76-83, DOI 10.1016/j.commatsci.2015.06.024. - Cited References: 69. - The authors would like to thank the Institute of Computational Modeling SB RAS, Krasnoyarsk, Information Technology Centre Novosibirsk State University, for providing access to their computational resources. The reported study was supported by RFBR, research project No. 14-02-31071, 14-02-31309, 12-02-00640, by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project No. NSh-2886.2014.2), Increase Competitiveness Program of NUST "MISiS" (No. K2-2015-033). The authors also would like to thank Prof. Stephan Irle and L.R. Moskvina for fruitful discussions and helpful ideas. . - ISSN 0927-0256

РУБ Materials Science, Multidisciplinary
Рубрики:
LONG CYCLE LIFE
   CORE-LEVEL SPECTROSCOPY
   CARBON-COATED SILICON
   AUGMENTED-WAVE METHOD
   ION BATTERIES
   MOLECULAR-DYNAMICS
   INTERATOMIC POTENTIALS
   ELECTRONIC-STRUCTURE
   CRYSTALLINE SILICON
   SI(100)2X1 SURFACE
Кл.слова (ненормированные):
Li-ion batteries -- Silicon -- Surface diffusion -- Li diffusion -- Density functional theory -- Molecular dynamics
Аннотация: A process of lithium atoms penetration into silicon (1 0 0) subsurface layers was investigated with the help of DFT method. It was shown that, while the concentration of lithium adatoms on reconstructed (1 0 0) silicon surface is low, the bonding energy of lithium atoms in the subsurface layers is smaller than the bonding energy on the surface, so lithium atoms are unlikely to migrate into the crystal. When the (1 0 0) silicon surface is covered by 2 layers of lithium, migration into the subsurface layer becomes favorable. In addition to this, the reconstruction of the surface changes to the form with symmetric dimers as the concentration increases. Thus, all possible lithium migration paths become energy-wise equal, so the rate of lithium atom transfer into silicon crystal rises. In addition to the ab initio calculations, an ad-hoc empirical interatomic potential was developed and the kinetics of lithium diffusion into silicon were studied. It was shown that lithium penetration proceeds in a layer-by-layer way with a sharp border between undoped and lithiated silicon. This is accounted for the fact that, once a tetrahedral interstice is occupied by a lithium atom, the migration barriers between the adjacent interstices become lower and the rate of diffusion increases. © 2015 Elsevier B.V. All rights reserved.

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Держатели документа:
L.V. Kirensky Institute of Physics SB RAS, 50 bld. 38 Akademgorodok, Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
National University of Science and Technology MISiS, 4 Leninskiy pr., Moscow, Russian Federation

Доп.точки доступа:
Mikhaleva, N. S.; Михалева, Наталья Сергеевна; Visotin, M. A.; Popov, Z. I.; Попов, Захар Иванович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович
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Alekseev, K. N.
Light squeezing at the transition to quantum chaos / K. N. Alekseev, J. . Perina // Phys. Rev. E. - 1998. - Vol. 57, Is. 4. - P. 4023-4034, DOI 10.1103/PhysRevE.57.4023. - Cited References: 62 . - ISSN 1063-651X

РУБ Physics, Fluids & Plasmas + Physics, Mathematical
Рубрики:
HIGHLY-EXCITED ATOMS
   ELECTROMAGNETIC-FIELD
   ANHARMONIC-OSCILLATOR
   MICROWAVE IONIZATION
   MONOCHROMATIC-FIELD
   CLASSICAL MECHANICS
   PERIODIC-ORBITS
   RYDBERG ATOMS
   HYDROGEN-ATOM
   SYSTEMS
Аннотация: We investigate theoretically the dynamics of squeezed state generation in nonlinear systems possessing a transition from regular to chaotic dynamics in the limit of a large number of photons. As an example, the model of a kicked Kerr oscillator is considered. We show that at the transition to quantum chaos the maximum possible degree of squeezing increases exponentially in time, in contrast to the regular dynamics, where the degree of squeezing increases only powerwise in time. We demonstrate the one-to-one correspondence of the degree of squeezing and the value of the local Lyapunov instability rate in the corresponding classical chaotic system.

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Держатели документа:
Abo Akad, Dept Phys, SF-20500 Turku, Finland
Russian Acad Sci, LV Kirensky Phys Inst, Theory Nonlinear Proc Lab, Krasnoyarsk 660036, Russia
Palacky Univ, Dept Opt, Olomouc 77207, Czech Republic
Palacky Univ, Joint Lab Opt, Olomouc 77207, Czech Republic
ИФ СО РАН

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Perina, J.
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Alekseev, K. N.
Quantum-classical correspondence and nonclassical state generation in dissipative quantum optical systems / K. N. Alekseev, N. V. Alekseeva, J. . Perina // J. Exp. Theor. Phys. - 2000. - Vol. 90, Is. 4. - P. 592-599, DOI 10.1134/1.559142. - Cited References: 32 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
2ND-HARMONIC GENERATION
   STATISTICAL PROPERTIES
   HARMONIC-GENERATION
   SQUEEZED STATES
   CHAOS
   LIGHT
   NONLINEARITIES
   INSTABILITIES
   DYNAMICS
   ATOMS
Аннотация: We develop a semiclassical method to determine the nonlinear dynamics of dissipative quantum optical systems in the limit of large number of photons N; it is based on the 1/N-expansion and the quantum-classical correspondence. The method is used to tackle two problems: the study of the dynamics of nonclassical state generation in higher order anharmonic dissipative oscillators and the establishment of the difference between the quantum and classical dynamics of the second-harmonic generation in a self-pulsing regime. In addressing the first problem, we obtain an explicit time dependence of the squeezing and the Fano factor for an arbitrary degree of anharmonism in the short-time approximation. For the second problem, we analytically find a characteristic time scale at which the quantum dynamics differs insignificantly from the classical one. (C) 2000 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Palacky Univ, Dept Opt, Olomouc 77207, Czech Republic
Palacky Univ, Joint Lab Opt, Olomouc 77207, Czech Republic
ИФ СО РАН

Доп.точки доступа:
Alekseeva, N. V.; Perina, J.
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Arkhipkin, V. G.
Induction of the maximum Raman coherence in an extended medium through fractional adiabatic passage / V. G. Arkhipkin, I. V. Timofeev // Opt. Spectrosc. - 2006. - Vol. 100, Is. 3. - P. 433-436, DOI 10.1134/S0030400X06030210. - Cited References: 24 . - ISSN 0030-400X

РУБ Optics + Spectroscopy
Рубрики:
POPULATION TRANSFER
LASER-PULSES
ATOMS
Аннотация: The effect of fractional stimulated Raman adiabatic passage in an optically dense medium of three-level Lambda atoms is shown to result in the maximum coherence on the Raman transition on a length of the medium that considerably exceeds the length of linear resonant absorption. The general case of unequal oscillator strengths of the adjacent transitions is analyzed. The results are of interest for coherent anti-Stokes Raman spectroscopy with delayed pulses.

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Доп.точки доступа:
Timofeev, I. V.; Тимофеев, Иван Владимирович; Архипкин, Василий Григорьевич
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Arkhipkin, V. G.
One- and two-dimensional Raman-induced diffraction gratings in atomic media / V. G. Arkhipkin, S. A. Myslivets // Phys. Rev. A. - 2018. - Vol. 98, Is. 1. - Ст. 013838, DOI 10.1103/PhysRevA.98.013838. - Cited References: 37 . - ISSN 2469-9926. - ISSN 2469-9934

РУБ Optics + Physics, Atomic, Molecular & Chemical
Рубрики:
ELECTROMAGNETICALLY INDUCED TRANSPARENCY
COLD ATOMS
ABSORPTION
Аннотация: We propose and analyze an efficient scheme for the one- and two-dimensional atomic gratings based on periodic spatial modulation of the Raman gain and dispersion, which we name the Raman-induced diffraction gratings (RIDGs). There are fundamentally different from those based on electromagnetically induced transparency. As the probe field propagates along the direction normal to the standing pump wave, it can be effectively diffracted into high-order directions. The grating is a hybrid grating, i.e. it represents a mixture of amplitude and phase gratings. We identify the conditions when all high-order diffractions are amplified. In addition, we also show that diffraction of a probe field could be dynamically controlled using an additional laser field. With its help, it is possible to suppress or amplify diffraction beams. The RIDGs can be considered as all-optical multibeam splitters with amplification.

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Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Myslivets, S. A.; Мысливец, Сергей Александрович; Архипкин, Василий Григорьевич
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Arkhipkin, V. G.
Transmission and reflection spectra of a photonic crystal with a Raman defects / V. G. Arkhipkin, S. A. Myslivets // J. Exp. Theor. Phys. - 2011. - Vol. 111, Is. 6. - P. 898-906, DOI 10.1134/S1063776110120022. - Cited References: 37. - This work was supported by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. NSh-7810.2010.3), the Presidium of the Russian Academy of Sciences (project no. 27.1), the Ministry of Education and Science of the Russian Federation (state contract no. 02.740.11.0220), and the Siberian Branch, Russian Academy of Sciences (integration project no. 5). . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
ELECTROMAGNETICALLY INDUCED TRANSPARENCY
   SLOW-LIGHT
   NONLINEAR OPTICS
   MICROCAVITIES
   LASERS
   AMPLIFIER
   MODES
Кл.слова (ненормированные):
Group velocities -- High frequency HF -- Microwatts -- Nonlinear refractive index -- One dimensional photonic crystal -- Probe field -- Pump intensities -- Raman gain -- Raman resonances -- Reflection spectra -- Spectral position -- Three level atoms -- Transmission spectrums -- Defects -- Dispersion (waves) -- Probes -- Pumping (laser) -- Pumps -- Refractive index -- Resonance -- Photonic crystals
Аннотация: Features of Raman gain of probe radiation in three-level atoms placed in a defect of a one-dimensional photonic crystal in the presence of laser radiation (pump) at an adjacent high-frequency transition have been theoretically investigated. It has been shown that there is a pump intensity range where narrow peaks (resonances) simultaneously appear in the transmission and reflection spectra of the probe field. Beyond this region, the peak in the transmission spectrum is transformed to a narrow dip. The spectral position of these peaks is determined by the Raman resonance and the transmittance and reflectance can be larger than unity at pump intensities from several microwatts per square centimeter to several tens of milliwatts per square centimeter. The nature of narrow peaks is due to a sharp dispersion of a nonlinear refractive index near the Raman resonance; this dispersion is responsible for a strong decrease in the group velocity of probe radiation. The proposed scheme makes it possible to obtain controlled ultranarrow resonances in the transmission and reflection spectra of the photonic crystal.

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Оригинал на русском языке Спектры пропускания и отражения фотонного кристалла с рамановским дефектом [Текст] / В. Г. Архипкин, С. А. Мысливец // Журнал экспериментальной и теоретической физики. - Москва : Федеральное государственное унитарное предприятие "Академический научно-издательский, производственно-полиграфический и книгораспространительский центр Российской академии наук "Издательство "Наука", 2010. - Т. 138 № 6. - С. 1018-1027

Держатели документа:
[Arkhipkin, V. G.] Russian Acad Sci, Kirenskii Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Myslivets, S. A.; Мысливец, Сергей Александрович; Архипкин, Василий Григорьевич
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Atomic current in optical lattices: Reexamination of the Esaki-Tsu equation / A. R. Kolovsky // Phys. Rev. A. - 2008. - Vol. 77, Is. 6. - P063604, DOI 10.1103/PhysRevA.77.063604. - Cited Reference Count: 13 . - JUN. - ISSN 1050-2947
Кл.слова (ненормированные):
Atomic physics -- Atoms -- Crystal lattices -- Optical materials -- Standards -- Systems analysis -- Velocity control -- American Physical Society (APS) -- Drift currents -- Master equations -- Optical lattices (OL) -- standard form -- Velocity distribution
Аннотация: This paper discusses the master equation approach to the derivation of the Esaki-Tsu equation for drift current. It is shown that the relaxation term in the master equation can be identified by measuring the velocity distribution of the carriers. We also show that the standard form of the relaxation term, used earlier to derive the Esaki-Tsu equation, predicts unphysical velocity distribution. We suggest a more elaborate relaxation term, which is argued to correctly capture the effect of a bosonic bath in experiments on atomic current in optical lattices.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Kolovsky, A. R.; Коловский, Андрей Радиевич
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    Atomic layer deposition ZnO on porous Al2O3 nanofibers film / A. S. Voronin, A. N. Masiygin, M. S. Molokeev, S. V. Khartov // J. Phys. Conf. Ser. - 2020. - Vol. 1679, Is. 2. - Ст. 022072DOI 10.1088/1742-6596/1679/2/022072. - Cited References: 10. - Studies by scanning electron microscopy and X-ray powder diffraction were performed on the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center «Krasnoyarsk Science Center SB RAS». The transmission electron microscopy investigations were conducted in the SFU Joint Scientific Center supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation
   Перевод заглавия: Нанесение атомного слоя ZnO на пленку из пористых нановолокон Al2O3
Кл.слова (ненормированные):
Alumina -- Aluminum oxide -- Atomic layer deposition -- Atoms -- Composite structures -- High resolution transmission electron microscopy -- II-VI semiconductors -- Nanofibers -- Oxide minerals -- Scanning electron microscopy
Аннотация: The paper presents the results of the formation and study of the morphological and structural characteristics of the mesoporous ZnO / Al2O3 nanofibers film (ZANF). The deposition of a ZnO layer on Al2O3 nanofibers film (ANF) ~ 1 µm thick was carried out by the method of atomic layer deposition. The morphology of the mesoporous composite layer ZnO / Al2O3 (ZANF) has been studied by scanning and transmission electron microscopy. It is shown that in the process of atomic layer deposition, the ZnO layer grows according to the Stranski-Krastanov mechanism. A ZnO layer less than 5 nm thick gives an island structure in which Al2O3 nanofibers are uniformly coated with ZnO particles, an increase in the ZnO layer thickness to 15 nm demonstrates a continuous coating of Al2O3 nanofibers. The system has a core-shell structure. The resulting composite structures are promising for applications in photocatalysis and gas sensing.

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Держатели документа:
Federal Research Center Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences (KSC SB RAS), Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Reshetnev Siberian State University Science and Technology, Krasnoyarsk, 660037, Russian Federation
Kirensky Institute of Physics (FRC KSC SB RAS), Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Voronin, A. S.; Masiygin, A. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Khartov, S. V.; International Scientific Conference on Applied Physics, Information Technologies and Engineering(2nd ; 25 September - 4 October 2020 ; Krasnoyarsk, Russian Federation)
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    Atomic Structure and Energetic Stability of Complex Chiral Silicon Nanowires / P. V. Avramov [et al.] // J. Phys. Chem. C. - 2010. - Vol. 114, Is. 35. - P. 14692-14696, DOI 10.1021/jp1016399. - Cited Reference Count: 36. - Гранты: This work was supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Technology Agency (JST) and a collaborative RFBR-JSPS grant No. 09-02-92107-Phi. S.I. also acknowledges support by the Program for Improvement of Research Environment for Young Researchers from Special Coordination Funds for Promoting Science and Technology (SCF) commissioned by the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan. L.Ch. acknowledges support by the Presidium of Russian Academy of Sciences (Program No. 27). - Финансирующая организация: CREST (Core Research for Evolutional Science and Technology); Japan Science and Technology Agency (JST); RFBR-JSPS [09-02-92107]; Special Coordination Funds for Promoting Science and Technology (SCF); Presidium of Russian Academy of Sciences [27] . - SEP 9. - ISSN 1932-7447
Рубрики:
DENSITY-FUNCTIONAL METHODS
   GROWTH
   EXCHANGE
   NANOHELICES
   NANOSPRINGS
Кл.слова (ненормированные):
Ab initio -- Atomic structure -- Chiral complexes -- Consecutive shifts -- DFT method -- Energetic stability -- HOMO-LUMO gaps -- Metastable structures -- Potential barriers -- Si atoms -- Silicon Nanowires -- Unit cell parameters -- Atoms -- Chirality -- Electronic structure -- Enantiomers -- Metastable phases -- Nanowires -- Stereochemistry -- Wire -- Crystal atomic structure
Аннотация: Atomic and electronic structure and energetic stability of newly proposed pentagonal and hexagonal chiral complex silicon nanowires (NWs) composed of five or six (I 10) oriented crystalline fragments were studied using the ab initio DFT method. The chirality of the wires was caused by consecutive shifts of each fragment by 1/5 or 1/6 of the wire unit cell parameter and rotations of 4 degrees and 3.3 degrees for achiral pentagonal or hexagonal wires, respectively. Chirality causes the HOMO-LUMO gap to reduce by 0.1 eV. Chiral silicon nanowires are found to be metastable structures with a 4,5 (kcal/mol)/Si atom potential barrier for reversible chiral achiral transformation.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, SB, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068103, Japan
Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan
Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Minami, S.; Morokuma, K.; Irle, S.; Chernozatonskii, L.A.
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10.

    Atypical quantum confinement effect in silicon nanowires / P. B. Sorokin [et al.] // J. Phys. Chem. A. - 2008. - Vol. 112, Is. 40. - P9955-9964, DOI 10.1021/jp805069b. - Cited Reference Count: 25. - Гранты: This work was in part partially supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Technology Agency (JST) as well as by Russian Fund of Basic Researches (grant 08-02-01096) (L.A.C.). P.V.A. acknowledges the encouragement of Dr. Keiji Morokuma, Research Leader at Fukui Institute for Fundamental Chemistry. The geometry of all presented structures was visualized by ChemCraft software.SUP25/SUP L.A.C. acknowledges I. V. Stankevich for help and fruitful discussions. P.B.S. is grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for access to a cluster computer for quantum-chemical calculations. - Финансирующая организация: Japan Science and Technology Agency (JST); Russian Fund of Basic Researches [08-02-01096] . - OCT 9. - ISSN 1089-5639
Рубрики:
ELECTRONIC-STRUCTURE
   OPTICAL-PROPERTIES
   SI
   DENSITY
   WIRES
   EXCHANGE
   ATOMS
   DOTS
Кл.слова (ненормированные):
Electric wire -- Energy gap -- Gallium alloys -- Mathematical models -- Nanostructured materials -- Nanostructures -- Nanowires -- Quantum confinement -- Quantum electronics -- Semiconductor quantum dots -- Silicon -- Ami methods -- Band gaps -- Blue shifts -- Dinger equations -- Linear junctions -- Monotonic decreases -- Quantum confinement effects -- Quantum dots -- Semiempirical -- Silicon nanowires -- System sizes -- Theoretical models -- Nanocrystalline silicon -- nanowire -- quantum dot -- silicon -- article -- chemistry -- electron -- quantum theory -- Electrons -- Nanowires -- Quantum Dots -- Quantum Theory -- Silicon
Аннотация: The quantum confinement effect (QCE) of linear junctions of silicon icosahedral quantum dots (IQD) and pentagonal nanowires (PNW) was studied using DFT and semiempirical AM1 methods. The formation of complex IQD/PNW structures leads to the localization of the HOMO and LUMO on different parts of the system and to a pronounced blue shift of the band gap; the typical QCE with a monotonic decrease of the band gap upon the system size breaks down. A simple one-electron one-dimensional Schrodinger equation model is proposed for the description and explanation of the unconventional quantum confinement behavior of silicon IQD/PNW systems. On the basis of the theoretical models, the experimentally discovered deviations from the typical QCE for nanocrystalline silicon are explained.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
LV Kirenskii Inst Phys, SB RAS, Krasnoyarsk 660036, Russia
RAS, N M Emanuel Inst Biochem Phys, Moscow 119334, Russia
Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan
Natl Inst Adv Ind Sci & Technol, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan

Доп.точки доступа:
Sorokin, P. B.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.; Chernozatonskii, L.A.; Fedorov, D.G.
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