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    Chemical bonding effect in complex oxyfluorides with transition metals / V. V. Atuchin [et al.] // The 7th Russian-French workshop on Nanosciences and Nanotechnologies : Program and abstract book / ed. A. V. Okotrub. - 2013. - P. 29 . - ISBN 978-5-901688-29-8
   Перевод заглавия: Особенности химических связей в сложных оксифлюоридах, содержащих переходные металлы

Материалы конференции

Доп.точки доступа:
Okotrub, A.V. \ed.\; Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Laptash, N. M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Russian-French workshop on Nanosciences and Nanotechnologies(7 ; 2013 ; Jun. ; 3-6 ; Новосибирск); Российская академия наук; Сибирское отделение РАН; Институт неорганической химии им. А.В. Николаева Сибирского отделения РАН; Институт катализа им. Г.К. Борескова Сибирского отделения РАН; Институт физики полупроводников им. А.В. Ржанова Сибирского отделения РАН
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Chemistry of vinylidene complexes. XX. Intramolecular carbonylation of vinylidene on the MnFe center: Spectroscopic and structural study. X-ray structure of the new trimethylenemethane type MnFe complex / A. B. Antonova [et al.] // J. Organomet. Chem. - 2011. - Vol. 696, Is. 4. - P. 963-970, DOI 10.1016/j.jorganchem.2010.10.035. - Cited References: 52. - This work was partially supported by the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 7.18) and Russian Foundation for Basic Research (Grant No. 09-03-90745-mob_st). Authors are grateful to Prof. N.A. Ustynyuk for useful discussions, Dr. E.A. Shor and Dr. A.M. Shor for giving the data of quantum chemical study. . - ISSN 0022-328X

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
MOLECULAR-STRUCTURE
   ORGANOMETALLIC CHEMISTRY
   TRICARBONYL COMPLEXES
   UNSATURATED CARBENES
   METAL VINYLIDENES
   TRANSITION-METALS
   ORGANIC-SYNTHESIS
   CRYSTAL-STRUCTURE
   IRON TRICARBONYL
   MANGANESE
Кл.слова (ненормированные):
Manganese -- Iron -- Carbonyl complexes -- Heteronuclear vinylidene complexes -- Intramolecular vinylidene carbonylation -- Trimethylenemethane complexes
Аннотация: Reactions of Fe-2(CO)(9) with Cp(CO)(2)Mn=C=CHPh (1) and Cp(CO)(PPh3)Mn=C=CHPh (3) gave the heterometallic trimethylenemethane complexes eta(4)-{C[Mn(CO)(2)Cp](CO)CHPh}Fe(CO)(3) (2) and eta(4)-{C[Mn(CO)(PPh3)Cp](CO)CHPh}Fe(CO)(3) (4), respectively. The formation of the benzylideneketene [PhHC=C=C=O] fragment included in complexes 2 and 4 occurs via intramolecular coupling of the carbonyl and vinylidene ligands. The structures of 3 and 4 were determined by single crystal XRD methods. The influence of the nature of the L ligands at the Mn atom on the structural and spectroscopic characteristics of eta(4)-{C[Mn(CO)(L)Cp](CO)CHPh}Fe(CO)(3) (L = CO (2), PPh3 (4)) is considered. According to the VT H-1 and C-13 NMR spectra, complex 2 reversibly transforms in solution into mu-eta(1):eta(1)-vinylidene isomer Cp(CO)(2)MnFe(mu-C=CHPh)(CO)(4) (2a), whereas complex 4 containing the PPh3 ligand is not able to a similar transformation. (C) 2010 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660049, Russia
Russian Acad Sci, Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia

Доп.точки доступа:
Antonova, A. B.; Chudin, O. S.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Rubaylo, A. I.; Verpekin, V. V.; Sokolenko, W. A.; Pavlenko, N. I.; Semeikin, O. V.
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Analysis of phase composition of Co-P alloy powders using magnetometric data / L. A. Chekanova [et al.] // Phys. Metals & Metallogr. - 2013. - Vol. 114. Is. 2. - P. 122-128DOI 10.1134/S0031918X1302004X
Аннотация: A new method for the quantitative estimate of the phase composition of a multiphase ferromagnetic alloy is suggested that is based on measuring the temperature and field dependences of the magnetization. The phase composition of ultrafine Co-P powders is characterized. Phase diagrams of nonequilibrium Co-P solid solutions are constructed on particle size, i.e., the phosphorus concentration coordinates.

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Публикация на русском языке Анализ фазового состава порошков сплава СО–P на основе магнитометрических измерений. - [S. l. : s. n.]

Держатели документа:
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Chekanova, L. A.; Чеканова, Лидия Александровна; Denisova, E. A.; Денисова, Елена Александровна; Goncharova, O. A.; Komogortsev, S. V.; Комогорцев, Сергей Викторович; Iskhakov, R. S.; Исхаков, Рауф Садыкович
}
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Karpov, S. V.
Simulation of conditions for fabrication of optical nanowaveguides in the form of chains of spherical metal nanoparticles by electrostatic functionalization of the process substrate / S. V. Karpov, I. L. Rasskazov // Colloid J. - 2013. - Vol. 75, Is. 3. - P. 279-288, DOI 10.1134/S1061933X13030083 . - ISSN 1061-933X
Кл.слова (ненормированные):
Deposition of metals -- Electrical parameter -- Experimental conditions -- Nonuniform electric field -- Ordered structures -- Selective deposition -- Single-domain structure -- Transmission property -- Deposition -- Electric fields -- Mathematical models -- Metal nanoparticles -- Photoexcitation -- Plasmons -- Sols -- Substrates
Аннотация: A method is proposed for electrostatic functionalization of substrates used to prepare ordered structures composed of closely spaced plasmon-resonant nanoparticles. The method ensures selective deposition of nanoparticles from the bulk of a colloidal system onto the substrates. This method is based on placing a metal nanotemplate of a required configuration at the opposite side of a substrate, with an electric potential being applied to the template. A mathematical model is developed to ensure that the system parameters responsible for the deposition of metal nanoparticles into ordered single-domain structures on the substrate from a bulk sol in a nonuniform electric field generated by the nanotemplate correspond to the real experimental conditions. Since the degree of imperfection of the synthesized chains governs the applicability of these structures to transmission of the optical excitation at the frequency of the surface plasmon of the particles, the dependence of the degree of imperfection on the physicochemical and electrical parameters of the system is studied using the Brownian-dynamics model. The calculations of the spectral and transmission properties of nanowaveguides of this type are exemplified. В© 2013 Pleiades Publishing, Ltd.

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Публикация на русском языке Моделирование условий синтеза оптических нановолноводов из цепочек сферических металлических наночастиц методом электростатической функционализации технологической подложки. - [S. l. : s. n.]

Держатели документа:
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660028, Russia;

Доп.точки доступа:
Рассказов, Илья Леонидович; Rasskazov, I. L.; Карпов, Сергей Васильевич
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Theoretical study of the magnetic properties of ordered vacancies in 2D hexagonal structures: Graphene, 2D-SiC, and h-BN / N. S. Eliseeva [et al.] // JETP Letters. - 2012. - Vol. 95, Is. 11. - P. 555-559, DOI 10.1134/S0021364012110045. - Cited References: 29 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
INITIO MOLECULAR-DYNAMICS
   METALS
   TRANSITION
   DEFECTS
   STATE
Аннотация: The magnetic properties of vacancies in 2D hexagonal structures-graphene and 2D-SiC and h-BN monolayers-have been studied. It has been found that a local magnetic moment exists in all listed systems in the presence of vacancies. However, in 2D hexagonal silicon carbide, the local magnetic moment appears only in the presence of silicon vacancy. In addition, the effect of the distance between vacancies in a monolayer on transitions between the ferromagnetic and antiferromagnetic states has been revealed.

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Публикация на русском языке Теоретическое исследование магнитных свойств упорядоченных вакансий в 2D гексагональных структурах: графен, 2D-SiC, h-BN [Текст] / Н. С. Елисеева [и др.] // Письма в Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 95 Вып. 11/12. - С. 633-637

Держатели документа:
[Eliseeva, N. S.
Kuzubov, A. A.
Ovchinnikov, S. G.
Serzhantova, M. V.] Siberian Fed Univ, Krasnoyarsk 660028, Russia
[Kuzubov, A. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Kuzubov, A. A.
Ovchinnikov, S. G.
Tomilin, F. N.
Fedorov, A. S.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Serzhantova, M. V.] Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
[Fedorov, A. S.] Moscow State Univ Econ Stat & Informat, Krasnoyarsk Branch, Krasnoyarsk 660012, Russia

Доп.точки доступа:
Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Serzhantova, M. V.; Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович
}
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    Chemical bonding effect in complex oxyfluorides with transition metals / V. V. Atuchin [et al.] // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 68
   Перевод заглавия: Эффект химического связывания в оксифторидах с переходными металлами
Кл.слова (ненормированные):
XPS -- oxyfluoride -- transition metals -- crystal structure -- bonding

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Laptash, N. M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
}
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Krasnov, P. O.
Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings / P. O. Krasnov, N. S. Eliseeva, A. A. Kuzubov // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 1. - P. 80-84, DOI 10.1134/S1063776111160059. - Cited References: 25. - We are grateful to the Joint Supercomputer Center, Russian Academy of Sciences, for the possibility of using the computer cluster for our quantum-chemical calculations. This work was supported by the Ministry of Education and Science of the Russian Federation (federal program "Human Capital for Science and Education in Innovative Russia" for 2009-2013). . - ISSN 1063-7761. - ISSN 1090-6509

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-HYDROGEN COMPLEXES
   STORAGE
   NANOTUBES
   TRANSITION
   ENERGY
   TEMPERATURE
   EXCHANGE
   DYNAMICS
   METALS
   C60
Аннотация: The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of five- and seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

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Публикация на русском языке Краснов, Павел Олегович. Взаимодействие атомов скандия и титана с углеродной поверхностью, содержащей пятичленные и семичленные кольца [Текст] / П. О. Краснов, Н. С. Елисеева, А. А. Кузубов // Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 1. - С. 90-95

Держатели документа:
[Krasnov, P. O.
Kuzubov, A. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Krasnov, P. O.
Kuzubov, A. A.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович; Краснов, Павел Олегович; Ministry of Education and Science of the Russian Federation
}
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Quantum-chemical calculations on the stability and mobility of vacancies in graphene / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2012. - Vol. 86, Is. 7. - P. 1088-1090, DOI 10.1134/S0036024412070126. - Cited References: 18 . - ISSN 0036-0244

РУБ Chemistry, Physical
Рубрики:
INITIO MOLECULAR-DYNAMICS
   TRANSITION
   POINTS
   METALS
   LAYERS
Кл.слова (ненормированные):
graphene -- defects -- quantum-chemical simulation -- deformations
Аннотация: Thermodynamic stabilities of mono- and bivacancies in graphene for deformed and nondeformed lattices are estimated by means of quantum-chemical calculations. Monovacancy hopping constants are evaluated in dependence on the applied uniaxial deformations.

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Публикация на русском языке Квантово-химический расчет стабильности и подвижности вакансий в графене [Текст] / А. М. Кузубов [и др.] // Журн. физ. химии : Наука, 2012. - Т. 86 № 7. - С. 1204-1206

Держатели документа:
[Kuzubov, A. A.
Anan'eva, Yu E.
Fedorov, A. S.
Tomilin, F. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Kuzubov, A. A.
Fedorov, A. S.
Tomilin, F. N.
Krasnov, P. O.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Kuzubov, A. A.
Krasnov, P. O.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Anan'eva, Y. E.; Fedorov, A. S.; Федоров, Александр Семенович; Tomilin, F. N.; Томилин, Феликс Николаевич; Krasnov, P. O.; Краснов, Павел Олегович
}
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Thermodynamic stability and electron structure of polymeric sandwich complexes of porphyrins with different metals / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2012. - Vol. 86, Is. 10. - P. 1567-1569, DOI 10.1134/S0036024412100159. - Cited References: 14 . - ISSN 0036-0244

РУБ Chemistry, Physical
Рубрики:
INITIO MOLECULAR-DYNAMICS
TRANSITION
Кл.слова (ненормированные):
porphyrins -- sandwich complexes -- electron structure -- thermodynamic stability
Аннотация: The thermodynamic stability of different conformers of the polymeric sandwich structures of metalloporphyrins (MeP) is studied by means of quantum chemistry. The possibility of forming stable layered BaP, SrP, ScP, YP, and ZrP structures with shielded and retarded conformation is demonstrated. Shielded conformers are preferable in the case of SrP, BaP, and ScP complexes, while retarded conformers are most advantageous for YP and ZrP complexes. Based on the results from calculating the electron structure of the investigated compounds, we find that SrP and BaP are semiconductors and ScP, YP, and ZrP are electrical conductors.

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Публикация на русском языке Термодинамическая устойчивость и электронная структура полимерных “сэндвичевых” комплексов порфиринов с различными металлами [Текст] / А. А. Кузубов [и др.] // Журн. физ. химии. - 2012. - Т. 86 № 10. - С. 1669-1672

Держатели документа:
[Kuzubov, A. A.
Krasnov, P. O.
Ignatova, N. Yu.
Fedorov, A. S.
Tomilin, F. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Tomilin, F. N.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Fedorov, A. S.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Krasnov, P. O.; Краснов, Павел Олегович; Ignatova, N. Y.; Fedorov, A. S.; Федоров, Александр Семенович; Tomilin, F. N.; Томилин, Феликс Николаевич
}
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10.

Response of a manganite-based magnetic tunnel structure to microwave radiation / N. V. Volkov [et al.] // J. Phys. D. - 2012. - Vol. 45, Is. 25. - Ст. 255301, DOI 10.1088/0022-3727/45/25/255301. - Cited References: 20. - This study was supported by the Russian Foundation for Basic Research, project no 11-02-00367-a; the Presidium of the Russian Academy of Sciences, program Fundamentals for Basic Research of Nanotechnology and Nanomaterials, project no 21.1; the Division of Physical Sciences of the Russian Academy of Sciences, program Spin-Dependent Effects in Solids and Spintronics, project no 2.4.4.1; the Siberian Branch of the Russian Academy of Sciences, integration projects nos 5 and 134; and the Federal target program Scientific and Pedagogical Personnel of Innovative Russia (State contract no NK-556P_15). . - ISSN 0022-3727

РУБ Physics, Applied
Рубрики:
IDENTICAL METALS
   JUNCTIONS
   RECTIFICATION
   SPINTRONICS
   MECHANISM
Аннотация: We demonstrate that a magnetic tunnel structure irradiated by microwaves can generate a typical voltage signal due to the rectification effect. We performed measurements in current-in-plane geometry when a current flows parallel to the interfaces in the structure. The value of the microwave-induced voltage strongly depends on the bias current and can be driven by a magnetic field. The rectification effect is discussed both in classical terms of nonlinearity of the current-voltage characteristics and within the mechanism involving the interplay between the spin-polarized current and the magnetization dynamics in the magnetic tunnel structure.

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Держатели документа:
[Volkov, N. V.
Rautskiy, M. V.
Eremin, E. V.
Patrin, G. S.
Kim, P. D.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Volkov, N. V.
Eremin, E. V.] Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
[Patrin, G. S.] Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia
[Lee, C. G.] Changwon Natl Univ, Sch Nano & Adv Mat Engn, Chang Won 641773, Gyeongnam, South Korea

Доп.точки доступа:
Volkov, N. V.; Волков, Никита Валентинович; Rautskiy, M. V.; Рауцкий, Михаил Владимирович; Eremin, E. V.; Еремин, Евгений Владимирович; Patrin, G. S.; Патрин, Геннадий Семёнович; Kim, P. D.; Ким, Петр Дементьевич; Lee, C. G.
}
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